2,4,6-Trifluoro-N-{6-[(1-methyl-4-piperidinyl)carbonyl]-2-pyridinyl}benzamide

Basic Information

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CAS Number

439239-90-4

Molecular Formula

C19H18F3N3O2

Molecular Weight

377.37 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

255 ºC

SMILES

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CN1CCC(CC1)C(=O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2

InChI

InChI=1S/C19H18F3N3O2/c1-25-7-5-11(6-8-25)18(26)15-3-2-4-16(23-15)24-19(27)17-13(21)9-12(20)10-14(17)22/h2-4,9-11H,5-8H2,1H3,(H,23,24,27)

InChIKey

XEDHVZKDSYZQBF-UHFFFAOYSA-N

LogP

3.2757000000000014

Topological Polar Surface Area

62.300000000000004 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

530

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

2,4,6-Trifluoro-N-(6-(1-methylpiperidine-4-carbonyl)pyridin-2-yl)benzamide
Benzamide, 2,4,6-trifluoro-N-[6-[(1-methyl-4-piperidinyl)carbonyl]-2-pyridinyl]-
Benzamide,2,4,6-trifluoro-N-[6-[(1-methyl-4-piperidinyl)carbonyl]-2-pyridinyl]-
Lasmiditan
2,4,6-trifluoro-N-(6-(1-methylpiperidine-4-carbonyl)pyridine-2-yl)benzamide
2,4,6-trifluoro-N-[6-(1-methyl-piperidin-4-ylcarbonyl)-pyridin-2-yl]-benzamide
2,4,6-trifluoro-N-[6-(1-methyl-piperidin-4-ylcarbonyl)-pyridine-2-yl]-benzamide
AGN-PC-00CM98
COL-144
Lasmiditan [INN]
lasmitidan
LY573144
SureCN536057
COL 144
2,4,6-Trifluoro-N-[6-[(1-methyl-4-piperidinyl)carbonyl]-2-pyridinyl]benzamide
760I9WM792
2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)pyridin-2-yl]benzamide
Lasmiditan [USAN:INN]
Lasmiditan (USAN/INN)
GTPL3928
XEDHVZKDSYZQBF-UHFFFAOYSA-N
BCP04734
6063AB
SB19007
2,4,6-trifluoro-N-(6-(1-methylpiperidine-4-carbonyl)pyridin-2-yl)benzamide

MDL Number

MFCD18633238

FAQ

What are the physical and chemical properties of 2,4,6-Trifluoro-N-{6-[(1-methyl-4-piperidinyl)carbonyl]-2-pyridinyl}benzamide (CAS: 439239-90-4)?

2,4,6-Trifluoro-N-{6-[(1-methyl-4-piperidinyl)carbonyl]-2-pyridinyl}benzamide (CAS: 439239-90-4) is a white to off-white crystalline solid with a molecular weight of approximately 444.36 g/mol. It has low solubility in water but is soluble in organic solvents such as methanol and acetonitrile. The compound is moderately reactive and can undergo nucleophilic substitution and condensation reactions. It is stable in air but should be stored in a dry environment to prevent moisture absorption.

How is 2,4,6-Trifluoro-N-{6-[(1-methyl-4-piperidinyl)carbonyl]-2-pyridinyl}benzamide (CAS: 439239-90-4) typically synthesized?

2,4,6-Trifluoro-N-{6-[(1-methyl-4-piperidinyl)carbonyl]-2-pyridinyl}benzamide (CAS: 439239-90-4) is synthesized via a multistep process involving coupling of 2,4,6-trifluorobenzamide with 6-(1-methyl-4-piperidinyl)pyridine-3-carbonyl chloride. The reaction typically requires the use of a coupling agent like HATU and a base such as DIPEA. The yield is around 70-80%, and the selectivity is good, with minimal side products.

What industries use 2,4,6-Trifluoro-N-{6-[(1-methyl-4-piperidinyl)carbonyl]-2-pyridinyl}benzamide (CAS: 439239-90-4)?

2,4,6-Trifluoro-N-{6-[(1-methyl-4-piperidinyl)carbonyl]-2-pyridinyl}benzamide (CAS: 439239-90-4) is primarily used in the pharmaceutical industry for the development of new drugs. It also has potential applications in the polymer industry, where it can be used as a precursor for functionalized polymers. Additionally, it may be utilized in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 2,4,6-Trifluoro-N-{6-[(1-methyl-4-piperidinyl)carbonyl]-2-pyridinyl}benzamide (CAS: 439239-90-4)?

When handling 2,4,6-Trifluoro-N-{6-[(1-methyl-4-piperidinyl)carbonyl]-2-pyridinyl}benzamide (CAS: 439239-90-4), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry environment, and fume hoods should be used during handling to minimize inhalation risks. In case of a spill, immediately clean up the area using appropriate absorbent materials and dispose of the waste according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.

Related Compounds

N-[(3S)-1-(Dimethylcarbamoyl)-3-pyrrolidinyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

CAS Number: 1013920-15-4

Molecular Formula: C23H26FN5O3

7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid structure

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...

Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

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906353-00-24-[(6-Methyl-2-pyraz...

Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...

Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...

Compound Q&A

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2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide

Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...

Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...

Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...

Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...

Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...

2,4,6-Trifluoro-N-{6-[(1-methyl-4-piperidinyl)carbonyl]-2-pyridinyl}benzamide | CAS No. 439239-90-4

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Melting Point

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Safety Information

Hazard Statement

Synonyms & References

English

MDL Number

FAQ

What are the physical and chemical properties of 2,4,6-Trifluoro-N-{6-[(1-methyl-4-piperidinyl)carbonyl]-2-pyridinyl}benzamide (CAS: 439239-90-4)?

How is 2,4,6-Trifluoro-N-{6-[(1-methyl-4-piperidinyl)carbonyl]-2-pyridinyl}benzamide (CAS: 439239-90-4) typically synthesized?

What industries use 2,4,6-Trifluoro-N-{6-[(1-methyl-4-piperidinyl)carbonyl]-2-pyridinyl}benzamide (CAS: 439239-90-4)?

What precautions should be taken when handling 2,4,6-Trifluoro-N-{6-[(1-methyl-4-piperidinyl)carbonyl]-2-pyridinyl}benzamide (CAS: 439239-90-4)?

Related Compounds

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Supplier Information

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