1-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(4-methylcyclohexyl)-2-oxopyridine-3-carboxamide

C26H26FN3O3 — CID 53119378

IUPAC1-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(4-methylcyclohexyl)-2-oxopyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2cccn(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)c2=O)CC1
InChIInChI=1S/C26H26FN3O3/c1-17-4-10-20(11-5-17)29-25(32)23-3-2-16-30(26(23)33)22-14-12-21(13-15-22)28-24(31)18-6-8-19(27)9-7-18/h2-3,6-9,12-17,20H,4-5,10-11H2,1H3,(H,28,31)(H,29,32)
InChIKeyIVYFTZTYDPAPHS-UHFFFAOYSA-N
MW447.51 g/mol
LogP4.54
Rot. Bonds5

About 1-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(4-methylcyclohexyl)-2-oxopyridine-3-carboxamide

1-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(4-methylcyclohexyl)-2-oxopyridine-3-carboxamide (PubChem CID 53119378) has the molecular formula C26H26FN3O3 and a molecular weight of 447.51 g/mol. Its IUPAC name is 1-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(4-methylcyclohexyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(4-methylcyclohexyl)-2-oxopyridine-3-carboxamide
PubChem CID53119378
Molecular FormulaC26H26FN3O3
Molecular Weight447.51 g/mol
Exact Mass447.20
IUPAC Name1-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(4-methylcyclohexyl)-2-oxopyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2cccn(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)c2=O)CC1
InChIInChI=1S/C26H26FN3O3/c1-17-4-10-20(11-5-17)29-25(32)23-3-2-16-30(26(23)33)22-14-12-21(13-15-22)28-24(31)18-6-8-19(27)9-7-18/h2-3,6-9,12-17,20H,4-5,10-11H2,1H3,(H,28,31)(H,29,32)
InChIKeyIVYFTZTYDPAPHS-UHFFFAOYSA-N
XLogP4.54
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-1-[4-[(4-fluorobenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
CID 53119458
1-(4-benzamidophenyl)-N-cyclopropyl-2-oxopyridine-3-carboxamide
CID 53119413
1-(4-benzamidophenyl)-N-cyclohexyl-2-oxopyridine-3-carboxamide
CID 53119460
N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
CID 53119397
1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-2-oxopyridine-3-carboxamide
CID 53119333
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-2-oxopyridine-3-carboxamide
CID 53119327
1-[4-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 46388387
N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136
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
N-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 175209394

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(4-methylcyclohexyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(4-methylcyclohexyl)-2-oxopyridine-3-carboxamide (CID 53119378) is 1-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(4-methylcyclohexyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(4-methylcyclohexyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(4-methylcyclohexyl)-2-oxopyridine-3-carboxamide is CC1CCC(NC(=O)c2cccn(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)c2=O)CC1.
What is the InChIKey of 1-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(4-methylcyclohexyl)-2-oxopyridine-3-carboxamide?
The InChIKey is IVYFTZTYDPAPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O3/c1-17-4-10-20(11-5-17)29-25(32)23-3-2-16-30(26(23)33)22-14-12-21(13-15-22)28-24(31)18-6-8-19(27)9-7-18/h2-3,6-9,12-17,20H,4-5,10-11H2,1H3,(H,28,31)(H,29,32).
What are the key properties of 1-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(4-methylcyclohexyl)-2-oxopyridine-3-carboxamide?
1-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(4-methylcyclohexyl)-2-oxopyridine-3-carboxamide has a molecular weight of 447.51 g/mol, XLogP of 4.54, 5 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]-N-(4-methylcyclohexyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 53119378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).