1-[4-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide

C29H26FN3O3 — CID 46388387

IUPAC1-[4-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1cccn(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1=O
InChIInChI=1S/C29H26FN3O3/c1-20(9-10-21-6-3-2-4-7-21)31-28(35)26-8-5-19-33(29(26)36)25-17-15-24(16-18-25)32-27(34)22-11-13-23(30)14-12-22/h2-8,11-20H,9-10H2,1H3,(H,31,35)(H,32,34)
InChIKeyXBVHAMKCJWFDKL-UHFFFAOYSA-N
MW483.54 g/mol
LogP4.98
Rot. Bonds8

About 1-[4-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide

1-[4-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide (PubChem CID 46388387) has the molecular formula C29H26FN3O3 and a molecular weight of 483.54 g/mol. Its IUPAC name is 1-[4-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
PubChem CID46388387
Molecular FormulaC29H26FN3O3
Molecular Weight483.54 g/mol
Exact Mass483.20
IUPAC Name1-[4-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1cccn(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1=O
InChIInChI=1S/C29H26FN3O3/c1-20(9-10-21-6-3-2-4-7-21)31-28(35)26-8-5-19-33(29(26)36)25-17-15-24(16-18-25)32-27(34)22-11-13-23(30)14-12-22/h2-8,11-20H,9-10H2,1H3,(H,31,35)(H,32,34)
InChIKeyXBVHAMKCJWFDKL-UHFFFAOYSA-N
XLogP4.98
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 53119403
1-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-N-[(2R)-4-phenylbutan-2-yl]pyridine-3-carboxamide
CID 95089070
1-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 53119404
N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
CID 53119397
N-butan-2-yl-1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
CID 53119324
1-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(4-methylcyclohexyl)-2-oxopyridine-3-carboxamide
CID 53119378
N-cyclohexyl-1-[4-[(4-fluorobenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
CID 53119458
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-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(1-phenylethyl)pyridine-3-carboxamide
CID 53119353
4-(carbamoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 26013431
1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 46388392

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 1-[4-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide (CID 46388387) is 1-[4-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[4-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 1-[4-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide is CC(CCc1ccccc1)NC(=O)c1cccn(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1=O.
What is the InChIKey of 1-[4-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide?
The InChIKey is XBVHAMKCJWFDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN3O3/c1-20(9-10-21-6-3-2-4-7-21)31-28(35)26-8-5-19-33(29(26)36)25-17-15-24(16-18-25)32-27(34)22-11-13-23(30)14-12-22/h2-8,11-20H,9-10H2,1H3,(H,31,35)(H,32,34).
What are the key properties of 1-[4-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide?
1-[4-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide has a molecular weight of 483.54 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 46388387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).