1-benzyl-4-(3-oxo-1-phenylbutyl)-4H-pyridine-3-carboxamide

C23H24N2O2 — CID 23252399

IUPAC1-benzyl-4-(3-oxo-1-phenylbutyl)-4H-pyridine-3-carboxamide
SMILESCC(=O)CC(c1ccccc1)C1C=CN(Cc2ccccc2)C=C1C(N)=O
InChIInChI=1S/C23H24N2O2/c1-17(26)14-21(19-10-6-3-7-11-19)20-12-13-25(16-22(20)23(24)27)15-18-8-4-2-5-9-18/h2-13,16,20-21H,14-15H2,1H3,(H2,24,27)
InChIKeyRENIIMUQYWURRV-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.76
Rot. Bonds7

About 1-benzyl-4-(3-oxo-1-phenylbutyl)-4H-pyridine-3-carboxamide

1-benzyl-4-(3-oxo-1-phenylbutyl)-4H-pyridine-3-carboxamide (PubChem CID 23252399) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-benzyl-4-(3-oxo-1-phenylbutyl)-4H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-4-(3-oxo-1-phenylbutyl)-4H-pyridine-3-carboxamide
PubChem CID23252399
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name1-benzyl-4-(3-oxo-1-phenylbutyl)-4H-pyridine-3-carboxamide
SMILESCC(=O)CC(c1ccccc1)C1C=CN(Cc2ccccc2)C=C1C(N)=O
InChIInChI=1S/C23H24N2O2/c1-17(26)14-21(19-10-6-3-7-11-19)20-12-13-25(16-22(20)23(24)27)15-18-8-4-2-5-9-18/h2-13,16,20-21H,14-15H2,1H3,(H2,24,27)
InChIKeyRENIIMUQYWURRV-UHFFFAOYSA-N
XLogP3.76
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-benzyl-4-phenyl-4H-pyridine-3-carboxylate
CID 101023603
4-cyclopent-2-en-1-yl-4-phenylbutan-2-one
CID 24977181
2-(3-oxo-1-phenylbutyl)indene-1,3-dione
CID 519483
2-[(1R)-3-oxo-1-phenylbutyl]indene-1,3-dione
CID 98056346
(4R)-4-(9H-fluoren-9-yl)-4-phenylbutan-2-one
CID 7385778
dimethyl 2-[(4R)-1-benzyl-3-methoxycarbonyl-4,5-dihydroazepin-4-yl]propanedioate
CID 15891310
1-(5-acetyl-1-benzyl-4-ethenyl-4H-pyridin-3-yl)-2,2,2-trichloroethanone
CID 101087967
dimethyl 1-benzyl-4-(4-chlorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 1295292
N-[3-(3-acetyl-1-benzyl-4H-pyridin-4-yl)propyl]-3,4-dimethoxy-N-phenylbenzamide
CID 118558068
1-[5-acetyl-1-benzyl-4-(2-nitrophenyl)-4H-pyridin-3-yl]ethanone
CID 1091254
(4S)-4-hydroxy-4-phenylbutan-2-one
CID 10888260
(4S)-4-bromo-4-phenylbutan-2-one
CID 155045363

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-oxo-1-phenylbutyl)-4H-pyridine-3-carboxamide?
The IUPAC name of 1-benzyl-4-(3-oxo-1-phenylbutyl)-4H-pyridine-3-carboxamide (CID 23252399) is 1-benzyl-4-(3-oxo-1-phenylbutyl)-4H-pyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-4-(3-oxo-1-phenylbutyl)-4H-pyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-4-(3-oxo-1-phenylbutyl)-4H-pyridine-3-carboxamide is CC(=O)CC(c1ccccc1)C1C=CN(Cc2ccccc2)C=C1C(N)=O.
What is the InChIKey of 1-benzyl-4-(3-oxo-1-phenylbutyl)-4H-pyridine-3-carboxamide?
The InChIKey is RENIIMUQYWURRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-17(26)14-21(19-10-6-3-7-11-19)20-12-13-25(16-22(20)23(24)27)15-18-8-4-2-5-9-18/h2-13,16,20-21H,14-15H2,1H3,(H2,24,27).
What are the key properties of 1-benzyl-4-(3-oxo-1-phenylbutyl)-4H-pyridine-3-carboxamide?
1-benzyl-4-(3-oxo-1-phenylbutyl)-4H-pyridine-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-oxo-1-phenylbutyl)-4H-pyridine-3-carboxamide is sourced from PubChem (CID 23252399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).