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

C29H27N3O3 — CID 46388392

IUPAC1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(3-phenylpropyl)pyridine-3-carboxamide
SMILESCc1ccccc1C(=O)Nc1ccc(-n2cccc(C(=O)NCCCc3ccccc3)c2=O)cc1
InChIInChI=1S/C29H27N3O3/c1-21-9-5-6-13-25(21)28(34)31-23-15-17-24(18-16-23)32-20-8-14-26(29(32)35)27(33)30-19-7-12-22-10-3-2-4-11-22/h2-6,8-11,13-18,20H,7,12,19H2,1H3,(H,30,33)(H,31,34)
InChIKeyBURAWVHOFWQTQG-UHFFFAOYSA-N
MW465.55 g/mol
LogP4.76
Rot. Bonds8

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

1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(3-phenylpropyl)pyridine-3-carboxamide (PubChem CID 46388392) has the molecular formula C29H27N3O3 and a molecular weight of 465.55 g/mol. Its IUPAC name is 1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(3-phenylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(3-phenylpropyl)pyridine-3-carboxamide
PubChem CID46388392
Molecular FormulaC29H27N3O3
Molecular Weight465.55 g/mol
Exact Mass465.21
IUPAC Name1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(3-phenylpropyl)pyridine-3-carboxamide
SMILESCc1ccccc1C(=O)Nc1ccc(-n2cccc(C(=O)NCCCc3ccccc3)c2=O)cc1
InChIInChI=1S/C29H27N3O3/c1-21-9-5-6-13-25(21)28(34)31-23-15-17-24(18-16-23)32-20-8-14-26(29(32)35)27(33)30-19-7-12-22-10-3-2-4-11-22/h2-6,8-11,13-18,20H,7,12,19H2,1H3,(H,30,33)(H,31,34)
InChIKeyBURAWVHOFWQTQG-UHFFFAOYSA-N
XLogP4.76
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-[4-[(2-fluorobenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
CID 53119465
1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(1-phenylethyl)pyridine-3-carboxamide
CID 53119353
1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 53119420
1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 53011449
1-(4-benzamidophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 53119434
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
N-[4-(3-aminopropyl)phenyl]-2-methylbenzamide
CID 28754642
1-[4-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 46388387
2,5-dimethyl-N-(3-phenylpropyl)benzamide
CID 2202785

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(3-phenylpropyl)pyridine-3-carboxamide?
The IUPAC name of 1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(3-phenylpropyl)pyridine-3-carboxamide (CID 46388392) is 1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(3-phenylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(3-phenylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(3-phenylpropyl)pyridine-3-carboxamide is Cc1ccccc1C(=O)Nc1ccc(-n2cccc(C(=O)NCCCc3ccccc3)c2=O)cc1.
What is the InChIKey of 1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(3-phenylpropyl)pyridine-3-carboxamide?
The InChIKey is BURAWVHOFWQTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O3/c1-21-9-5-6-13-25(21)28(34)31-23-15-17-24(18-16-23)32-20-8-14-26(29(32)35)27(33)30-19-7-12-22-10-3-2-4-11-22/h2-6,8-11,13-18,20H,7,12,19H2,1H3,(H,30,33)(H,31,34).
What are the key properties of 1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(3-phenylpropyl)pyridine-3-carboxamide?
1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(3-phenylpropyl)pyridine-3-carboxamide has a molecular weight of 465.55 g/mol, XLogP of 4.76, 8 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-(3-phenylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 46388392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).