2-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide

C14H11F3N2O — CID 67079639

IUPAC2-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)11-3-1-2-9(6-11)7-12-8-10(13(18)20)4-5-19-12/h1-6,8H,7H2,(H2,18,20)
InChIKeyJJZBFZLNAZFXPS-UHFFFAOYSA-N
MW280.25 g/mol
LogP2.79
Rot. Bonds3

About 2-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide

2-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide (PubChem CID 67079639) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
PubChem CID67079639
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name2-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)11-3-1-2-9(6-11)7-12-8-10(13(18)20)4-5-19-12/h1-6,8H,7H2,(H2,18,20)
InChIKeyJJZBFZLNAZFXPS-UHFFFAOYSA-N
XLogP2.79
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(aminomethyl)-4-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116601811
2-[[2-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67518329
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]pyrazole-4-carboxamide
CID 156852738
2-methyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]benzamide
CID 166100350
3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 90303181
2-(aminomethyl)pyridine-4-carboxamide;hydrochloride
CID 135395084
3-[[3-(trifluoromethyl)anilino]methyl]benzamide
CID 28571852
4-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxylic acid
CID 150084346
2-(2-cyclopropyl-2-oxoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 149457957
2-(chloromethyl)pyridine-4-carboxamide
CID 22993396
(4-carbamoylphenyl) 2-[3-(trifluoromethyl)phenyl]acetate
CID 8803312

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide (CID 67079639) is 2-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide is NC(=O)c1ccnc(Cc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is JJZBFZLNAZFXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c15-14(16,17)11-3-1-2-9(6-11)7-12-8-10(13(18)20)4-5-19-12/h1-6,8H,7H2,(H2,18,20).
What are the key properties of 2-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
2-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 280.25 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 67079639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).