N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide

C27H22FN3O3 — CID 53119397

IUPACN-[(4-fluorophenyl)methyl]-1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(-n3cccc(C(=O)NCc4ccc(F)cc4)c3=O)cc2)cc1
InChIInChI=1S/C27H22FN3O3/c1-18-4-8-20(9-5-18)25(32)30-22-12-14-23(15-13-22)31-16-2-3-24(27(31)34)26(33)29-17-19-6-10-21(28)11-7-19/h2-16H,17H2,1H3,(H,29,33)(H,30,32)
InChIKeyDYAYHKAKWYWMES-UHFFFAOYSA-N
MW455.49 g/mol
LogP4.47
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide

N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide (PubChem CID 53119397) has the molecular formula C27H22FN3O3 and a molecular weight of 455.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
PubChem CID53119397
Molecular FormulaC27H22FN3O3
Molecular Weight455.49 g/mol
Exact Mass455.16
IUPAC NameN-[(4-fluorophenyl)methyl]-1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(-n3cccc(C(=O)NCc4ccc(F)cc4)c3=O)cc2)cc1
InChIInChI=1S/C27H22FN3O3/c1-18-4-8-20(9-5-18)25(32)30-22-12-14-23(15-13-22)31-16-2-3-24(27(31)34)26(33)29-17-19-6-10-21(28)11-7-19/h2-16H,17H2,1H3,(H,29,33)(H,30,32)
InChIKeyDYAYHKAKWYWMES-UHFFFAOYSA-N
XLogP4.47
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxopyridine-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

1-(4-benzamidophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 53119434
N-[(4-fluorophenyl)methyl]-1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
CID 53119399
1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047255
1-[4-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 46388387
1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95089029
1-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(4-methylcyclohexyl)-2-oxopyridine-3-carboxamide
CID 53119378
N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598726
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
N-cyclohexyl-1-[4-[(4-fluorobenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
CID 53119458
1-[(4-fluorophenyl)methoxy]-N-(4-methylphenyl)-2-oxopyridine-3-carboxamide
CID 6710602
4-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(4-methylphenyl)methyl]benzamide
CID 53082274
1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 53119420

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide (CID 53119397) is N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(-n3cccc(C(=O)NCc4ccc(F)cc4)c3=O)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide?
The InChIKey is DYAYHKAKWYWMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN3O3/c1-18-4-8-20(9-5-18)25(32)30-22-12-14-23(15-13-22)31-16-2-3-24(27(31)34)26(33)29-17-19-6-10-21(28)11-7-19/h2-16H,17H2,1H3,(H,29,33)(H,30,32).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 53119397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).