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

C20H16F3N3O — CID 109176395

IUPAC2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESCN(c1ccccc1)c1cc(C(=O)Nc2ccccc2C(F)(F)F)ccn1
InChIInChI=1S/C20H16F3N3O/c1-26(15-7-3-2-4-8-15)18-13-14(11-12-24-18)19(27)25-17-10-6-5-9-16(17)20(21,22)23/h2-13H,1H3,(H,25,27)
InChIKeyAAIIFGDQCUCWIW-UHFFFAOYSA-N
MW371.36 g/mol
LogP5.12
Rot. Bonds4

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

2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide (PubChem CID 109176395) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is 2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
PubChem CID109176395
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESCN(c1ccccc1)c1cc(C(=O)Nc2ccccc2C(F)(F)F)ccn1
InChIInChI=1S/C20H16F3N3O/c1-26(15-7-3-2-4-8-15)18-13-14(11-12-24-18)19(27)25-17-10-6-5-9-16(17)20(21,22)23/h2-13H,1H3,(H,25,27)
InChIKeyAAIIFGDQCUCWIW-UHFFFAOYSA-N
XLogP5.12
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.36
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-methylanilino)pyridine-4-carboxylic acid
CID 22643369
N-(4-bromophenyl)-2-(N-methylanilino)pyridine-4-carboxamide
CID 109176388
5-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109197685
N-(5-chloro-2-methoxyphenyl)-2-(N-methylanilino)pyridine-4-carboxamide
CID 109176387
4-N-(2-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109091026
N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756505
2-N-butyl-4-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109079504
4-methyl-2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 30134336
2-(cyclohexylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109166365
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109093173
1-methyl-N-[2-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide
CID 110692630
6-[benzyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109156314

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide (CID 109176395) is 2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide is CN(c1ccccc1)c1cc(C(=O)Nc2ccccc2C(F)(F)F)ccn1.
What is the InChIKey of 2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is AAIIFGDQCUCWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O/c1-26(15-7-3-2-4-8-15)18-13-14(11-12-24-18)19(27)25-17-10-6-5-9-16(17)20(21,22)23/h2-13H,1H3,(H,25,27).
What are the key properties of 2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide has a molecular weight of 371.36 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 109176395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).