1-(4-benzamidophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide

C27H23N3O3 — CID 53119434

IUPAC1-(4-benzamidophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cccn(-c3ccc(NC(=O)c4ccccc4)cc3)c2=O)cc1
InChIInChI=1S/C27H23N3O3/c1-19-9-11-20(12-10-19)18-28-26(32)24-8-5-17-30(27(24)33)23-15-13-22(14-16-23)29-25(31)21-6-3-2-4-7-21/h2-17H,18H2,1H3,(H,28,32)(H,29,31)
InChIKeyBAFUKSAUUVDEDF-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.33
Rot. Bonds6

About 1-(4-benzamidophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide

1-(4-benzamidophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 53119434) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 1-(4-benzamidophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-benzamidophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID53119434
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC Name1-(4-benzamidophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cccn(-c3ccc(NC(=O)c4ccccc4)cc3)c2=O)cc1
InChIInChI=1S/C27H23N3O3/c1-19-9-11-20(12-10-19)18-28-26(32)24-8-5-17-30(27(24)33)23-15-13-22(14-16-23)29-25(31)21-6-3-2-4-7-21/h2-17H,18H2,1H3,(H,28,32)(H,29,31)
InChIKeyBAFUKSAUUVDEDF-UHFFFAOYSA-N
XLogP4.33
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
CID 53119397
N-[(4-fluorophenyl)methyl]-1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
CID 53119399
1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95089029
1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 53119420
1-(4-benzamidophenyl)-N-cyclopropyl-2-oxopyridine-3-carboxamide
CID 53119413
1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 46388392
1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 53119403
1-(4-acetamidophenyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 20974500
N-butan-2-yl-1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
CID 53119324
1-[4-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 46388387
1-[4-[(2-fluorobenzoyl)amino]phenyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 53119471
N-butyl-1-[4-[(2-fluorobenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
CID 53119465

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzamidophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-(4-benzamidophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide (CID 53119434) is 1-(4-benzamidophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(4-benzamidophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(4-benzamidophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide is Cc1ccc(CNC(=O)c2cccn(-c3ccc(NC(=O)c4ccccc4)cc3)c2=O)cc1.
What is the InChIKey of 1-(4-benzamidophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is BAFUKSAUUVDEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3/c1-19-9-11-20(12-10-19)18-28-26(32)24-8-5-17-30(27(24)33)23-15-13-22(14-16-23)29-25(31)21-6-3-2-4-7-21/h2-17H,18H2,1H3,(H,28,32)(H,29,31).
What are the key properties of 1-(4-benzamidophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
1-(4-benzamidophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzamidophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 53119434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).