1-benzyl-4-oxo-2-(2-oxo-1-phenylethyl)-2,3-dihydropyridine-5-carboxamide

C21H20N2O3 — CID 91369715

IUPAC1-benzyl-4-oxo-2-(2-oxo-1-phenylethyl)-2,3-dihydropyridine-5-carboxamide
SMILESNC(=O)C1=CN(Cc2ccccc2)C(C(C=O)c2ccccc2)CC1=O
InChIInChI=1S/C21H20N2O3/c22-21(26)17-13-23(12-15-7-3-1-4-8-15)19(11-20(17)25)18(14-24)16-9-5-2-6-10-16/h1-10,13-14,18-19H,11-12H2,(H2,22,26)
InChIKeyGWPZRRPVCTWPCM-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.18
Rot. Bonds6

About 1-benzyl-4-oxo-2-(2-oxo-1-phenylethyl)-2,3-dihydropyridine-5-carboxamide

1-benzyl-4-oxo-2-(2-oxo-1-phenylethyl)-2,3-dihydropyridine-5-carboxamide (PubChem CID 91369715) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-benzyl-4-oxo-2-(2-oxo-1-phenylethyl)-2,3-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-4-oxo-2-(2-oxo-1-phenylethyl)-2,3-dihydropyridine-5-carboxamide
PubChem CID91369715
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name1-benzyl-4-oxo-2-(2-oxo-1-phenylethyl)-2,3-dihydropyridine-5-carboxamide
SMILESNC(=O)C1=CN(Cc2ccccc2)C(C(C=O)c2ccccc2)CC1=O
InChIInChI=1S/C21H20N2O3/c22-21(26)17-13-23(12-15-7-3-1-4-8-15)19(11-20(17)25)18(14-24)16-9-5-2-6-10-16/h1-10,13-14,18-19H,11-12H2,(H2,22,26)
InChIKeyGWPZRRPVCTWPCM-UHFFFAOYSA-N
XLogP2.18
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

1-Benzyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 44248700
1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxamide
CID 155551400
1-Ethyl-5-(4-fluorophenyl)-4-oxo-2-phenylpyridine-3-carboxamide
CID 161173255
4,5-dioxo-1-[(4-phenylphenyl)methyl]-7,8-dihydro-6H-quinoline-3-carbaldehyde
CID 88236023
2-(2-formylphenyl)-3-oxo-N-[(1S)-1-phenylpropyl]pentanamide
CID 88884441
2-benzyl-5-(1H-isoquinolin-2-yl)-3-oxopentanamide
CID 145820846
1-benzyl-5-N-butyl-4-oxo-3-N-[(2R)-2-phenylpropyl]pyridine-3,5-dicarboxamide
CID 163366146
1-benzyl-5-N-butyl-4-oxo-3-N-(2-phenylpropyl)pyridine-3,5-dicarboxamide
CID 175255289
5-Acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one
CID 2751306
(4S)-5-acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one
CID 7160000
(4R)-5-acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one
CID 7160001
(2Z)-N-benzyl-2-(dimethylaminomethylidene)-3-oxo-4-phenylhexanamide
CID 11100215

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-oxo-2-(2-oxo-1-phenylethyl)-2,3-dihydropyridine-5-carboxamide?
The IUPAC name of 1-benzyl-4-oxo-2-(2-oxo-1-phenylethyl)-2,3-dihydropyridine-5-carboxamide (CID 91369715) is 1-benzyl-4-oxo-2-(2-oxo-1-phenylethyl)-2,3-dihydropyridine-5-carboxamide.
What is the SMILES notation for 1-benzyl-4-oxo-2-(2-oxo-1-phenylethyl)-2,3-dihydropyridine-5-carboxamide?
The canonical SMILES for 1-benzyl-4-oxo-2-(2-oxo-1-phenylethyl)-2,3-dihydropyridine-5-carboxamide is NC(=O)C1=CN(Cc2ccccc2)C(C(C=O)c2ccccc2)CC1=O.
What is the InChIKey of 1-benzyl-4-oxo-2-(2-oxo-1-phenylethyl)-2,3-dihydropyridine-5-carboxamide?
The InChIKey is GWPZRRPVCTWPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c22-21(26)17-13-23(12-15-7-3-1-4-8-15)19(11-20(17)25)18(14-24)16-9-5-2-6-10-16/h1-10,13-14,18-19H,11-12H2,(H2,22,26).
What are the key properties of 1-benzyl-4-oxo-2-(2-oxo-1-phenylethyl)-2,3-dihydropyridine-5-carboxamide?
1-benzyl-4-oxo-2-(2-oxo-1-phenylethyl)-2,3-dihydropyridine-5-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-oxo-2-(2-oxo-1-phenylethyl)-2,3-dihydropyridine-5-carboxamide is sourced from PubChem (CID 91369715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).