4-(2-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C20H16F3N3O — CID 109219031

IUPAC4-(2-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCc1ccccc1Nc1ccnc(C(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C20H16F3N3O/c1-13-6-2-4-8-16(13)25-14-10-11-24-18(12-14)19(27)26-17-9-5-3-7-15(17)20(21,22)23/h2-12H,1H3,(H,24,25)(H,26,27)
InChIKeyAXPJUHWYXFLILA-UHFFFAOYSA-N
MW371.36 g/mol
LogP5.40
Rot. Bonds4

About 4-(2-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide

4-(2-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 109219031) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is 4-(2-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID109219031
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name4-(2-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCc1ccccc1Nc1ccnc(C(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C20H16F3N3O/c1-13-6-2-4-8-16(13)25-14-10-11-24-18(12-14)19(27)26-17-9-5-3-7-15(17)20(21,22)23/h2-12H,1H3,(H,24,25)(H,26,27)
InChIKeyAXPJUHWYXFLILA-UHFFFAOYSA-N
XLogP5.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.36
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109091026
N-(2-fluorophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109220614
N-phenyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109218783
4-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109222054
4-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109221605
N-(2-cyanophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109222061
N-(2-methylpropyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109202985
N-(3,4-dimethylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109219004
N-(4-acetylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109219035
N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109213332
N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109219056
6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 110860737

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(2-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 109219031) is 4-(2-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(2-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide is Cc1ccccc1Nc1ccnc(C(=O)Nc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 4-(2-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is AXPJUHWYXFLILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O/c1-13-6-2-4-8-16(13)25-14-10-11-24-18(12-14)19(27)26-17-9-5-3-7-15(17)20(21,22)23/h2-12H,1H3,(H,24,25)(H,26,27).
What are the key properties of 4-(2-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
4-(2-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 371.36 g/mol, XLogP of 5.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 109219031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).