1-[(4-methylphenyl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C21H17F3N2O2 — CID 7422772

IUPAC1-[(4-methylphenyl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(Cn2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2=O)cc1
InChIInChI=1S/C21H17F3N2O2/c1-14-4-6-15(7-5-14)13-26-12-2-3-18(20(26)28)19(27)25-17-10-8-16(9-11-17)21(22,23)24/h2-12H,13H2,1H3,(H,25,27)
InChIKeyNCIDUOQXUUJEFI-UHFFFAOYSA-N
MW386.37 g/mol
LogP4.48
Rot. Bonds4

About 1-[(4-methylphenyl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

1-[(4-methylphenyl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 7422772) has the molecular formula C21H17F3N2O2 and a molecular weight of 386.37 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID7422772
Molecular FormulaC21H17F3N2O2
Molecular Weight386.37 g/mol
Exact Mass386.12
IUPAC Name1-[(4-methylphenyl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(Cn2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2=O)cc1
InChIInChI=1S/C21H17F3N2O2/c1-14-4-6-15(7-5-14)13-26-12-2-3-18(20(26)28)19(27)25-17-10-8-16(9-11-17)21(22,23)24/h2-12H,13H2,1H3,(H,25,27)
InChIKeyNCIDUOQXUUJEFI-UHFFFAOYSA-N
XLogP4.48
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4-methylphenyl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-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

N-(4-bromophenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 26843720
N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598726
N-(3-fluoro-4-methylphenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7422797
N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 22582914
N-(4-acetamidophenyl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 26843705
N-(6-methyl-1,3-benzothiazol-2-yl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 50806855
1-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 7598014
N-(3-bromophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598727
N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 55767726
N-(2-ethoxyphenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 26843723
1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7597691
1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-2-oxopyridine-3-carboxamide
CID 7597717

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 1-[(4-methylphenyl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 7422772) is 1-[(4-methylphenyl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Cc1ccc(Cn2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2=O)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is NCIDUOQXUUJEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O2/c1-14-4-6-15(7-5-14)13-26-12-2-3-18(20(26)28)19(27)25-17-10-8-16(9-11-17)21(22,23)24/h2-12H,13H2,1H3,(H,25,27).
What are the key properties of 1-[(4-methylphenyl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
1-[(4-methylphenyl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 386.37 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 7422772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).