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

C30H29N3O3 — CID 53119403

IUPAC1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc(-n3cccc(C(=O)NC(C)CCc4ccccc4)c3=O)cc2)c1
InChIInChI=1S/C30H29N3O3/c1-21-8-6-11-24(20-21)28(34)32-25-15-17-26(18-16-25)33-19-7-12-27(30(33)36)29(35)31-22(2)13-14-23-9-4-3-5-10-23/h3-12,15-20,22H,13-14H2,1-2H3,(H,31,35)(H,32,34)
InChIKeyYWIZOQSDWORYPE-UHFFFAOYSA-N
MW479.58 g/mol
LogP5.15
Rot. Bonds8

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

1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide (PubChem CID 53119403) has the molecular formula C30H29N3O3 and a molecular weight of 479.58 g/mol. Its IUPAC name is 1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
PubChem CID53119403
Molecular FormulaC30H29N3O3
Molecular Weight479.58 g/mol
Exact Mass479.22
IUPAC Name1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc(-n3cccc(C(=O)NC(C)CCc4ccccc4)c3=O)cc2)c1
InChIInChI=1S/C30H29N3O3/c1-21-8-6-11-24(20-21)28(34)32-25-15-17-26(18-16-25)33-19-7-12-27(30(33)36)29(35)31-22(2)13-14-23-9-4-3-5-10-23/h3-12,15-20,22H,13-14H2,1-2H3,(H,31,35)(H,32,34)
InChIKeyYWIZOQSDWORYPE-UHFFFAOYSA-N
XLogP5.15
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 53119404
1-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-N-[(2R)-4-phenylbutan-2-yl]pyridine-3-carboxamide
CID 95089070
N-[(4-fluorophenyl)methyl]-1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
CID 53119399
3-bromo-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 2946068
1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(1-phenylethyl)pyridine-3-carboxamide
CID 53119353
1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 46388392
3-methyl-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide
CID 5343922
1-(4-benzamidophenyl)-N-cyclopropyl-2-oxopyridine-3-carboxamide
CID 53119413
(3R)-6-[(3-methylbenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091216
1-(3-methylphenyl)-3-[(2R)-4-phenylbutan-2-yl]urea
CID 2554170

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide (CID 53119403) is 1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide is Cc1cccc(C(=O)Nc2ccc(-n3cccc(C(=O)NC(C)CCc4ccccc4)c3=O)cc2)c1.
What is the InChIKey of 1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide?
The InChIKey is YWIZOQSDWORYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O3/c1-21-8-6-11-24(20-21)28(34)32-25-15-17-26(18-16-25)33-19-7-12-27(30(33)36)29(35)31-22(2)13-14-23-9-4-3-5-10-23/h3-12,15-20,22H,13-14H2,1-2H3,(H,31,35)(H,32,34).
What are the key properties of 1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide?
1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide has a molecular weight of 479.58 g/mol, XLogP of 5.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 53119403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).