1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(1-phenylethyl)pyridine-3-carboxamide

C28H25N3O3 — CID 53119353

IUPAC1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(1-phenylethyl)pyridine-3-carboxamide
SMILESCc1ccccc1C(=O)Nc1ccc(-n2cccc(C(=O)NC(C)c3ccccc3)c2=O)cc1
InChIInChI=1S/C28H25N3O3/c1-19-9-6-7-12-24(19)26(32)30-22-14-16-23(17-15-22)31-18-8-13-25(28(31)34)27(33)29-20(2)21-10-4-3-5-11-21/h3-18,20H,1-2H3,(H,29,33)(H,30,32)
InChIKeyYJLVCEPBAGBEAM-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.89
Rot. Bonds6

About 1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(1-phenylethyl)pyridine-3-carboxamide

1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(1-phenylethyl)pyridine-3-carboxamide (PubChem CID 53119353) has the molecular formula C28H25N3O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is 1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(1-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(1-phenylethyl)pyridine-3-carboxamide
PubChem CID53119353
Molecular FormulaC28H25N3O3
Molecular Weight451.53 g/mol
Exact Mass451.19
IUPAC Name1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(1-phenylethyl)pyridine-3-carboxamide
SMILESCc1ccccc1C(=O)Nc1ccc(-n2cccc(C(=O)NC(C)c3ccccc3)c2=O)cc1
InChIInChI=1S/C28H25N3O3/c1-19-9-6-7-12-24(19)26(32)30-22-14-16-23(17-15-22)31-18-8-13-25(28(31)34)27(33)29-20(2)21-10-4-3-5-11-21/h3-18,20H,1-2H3,(H,29,33)(H,30,32)
InChIKeyYJLVCEPBAGBEAM-UHFFFAOYSA-N
XLogP4.89
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 46388392
1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 53119420
1-[4-[(2-fluorobenzoyl)amino]phenyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 53119471
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
1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 53119403
1-[4-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 46388387
N-butan-2-yl-1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
CID 53119324
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 30386627
1-(4-acetamidophenyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 20974500
N-[4-(1-hydroxyethyl)phenyl]-2-methylbenzamide
CID 43417161

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(1-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(1-phenylethyl)pyridine-3-carboxamide (CID 53119353) is 1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(1-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(1-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(1-phenylethyl)pyridine-3-carboxamide is Cc1ccccc1C(=O)Nc1ccc(-n2cccc(C(=O)NC(C)c3ccccc3)c2=O)cc1.
What is the InChIKey of 1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(1-phenylethyl)pyridine-3-carboxamide?
The InChIKey is YJLVCEPBAGBEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O3/c1-19-9-6-7-12-24(19)26(32)30-22-14-16-23(17-15-22)31-18-8-13-25(28(31)34)27(33)29-20(2)21-10-4-3-5-11-21/h3-18,20H,1-2H3,(H,29,33)(H,30,32).
What are the key properties of 1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(1-phenylethyl)pyridine-3-carboxamide?
1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(1-phenylethyl)pyridine-3-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(1-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 53119353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).