N-(3-acetylphenyl)-1-benzyl-2-oxopyridine-3-carboxamide

C21H18N2O3 — CID 7422689

IUPACN-(3-acetylphenyl)-1-benzyl-2-oxopyridine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccn(Cc3ccccc3)c2=O)c1
InChIInChI=1S/C21H18N2O3/c1-15(24)17-9-5-10-18(13-17)22-20(25)19-11-6-12-23(21(19)26)14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,22,25)
InChIKeyKFRMHIHHCIDNAS-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.35
Rot. Bonds5

About N-(3-acetylphenyl)-1-benzyl-2-oxopyridine-3-carboxamide

N-(3-acetylphenyl)-1-benzyl-2-oxopyridine-3-carboxamide (PubChem CID 7422689) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-benzyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-benzyl-2-oxopyridine-3-carboxamide
PubChem CID7422689
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC NameN-(3-acetylphenyl)-1-benzyl-2-oxopyridine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccn(Cc3ccccc3)c2=O)c1
InChIInChI=1S/C21H18N2O3/c1-15(24)17-9-5-10-18(13-17)22-20(25)19-11-6-12-23(21(19)26)14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,22,25)
InChIKeyKFRMHIHHCIDNAS-UHFFFAOYSA-N
XLogP3.35
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(3-bromophenyl)-2-oxopyridine-3-carboxamide
CID 7422670
N-(3-acetylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599212
N-(3-acetylphenyl)-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599305
N-(4-acetylphenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599073
N-(3-acetylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 40505024
N-(3-bromophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598727
1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7597691
1-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7598003
N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599167
N-(3-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382923
1-[(3-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)-2-oxopyridine-3-carboxamide
CID 8670922
1-benzyl-N-(3-chloro-2-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7422717

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-benzyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-benzyl-2-oxopyridine-3-carboxamide (CID 7422689) is N-(3-acetylphenyl)-1-benzyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-benzyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-benzyl-2-oxopyridine-3-carboxamide is CC(=O)c1cccc(NC(=O)c2cccn(Cc3ccccc3)c2=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-1-benzyl-2-oxopyridine-3-carboxamide?
The InChIKey is KFRMHIHHCIDNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-15(24)17-9-5-10-18(13-17)22-20(25)19-11-6-12-23(21(19)26)14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,22,25).
What are the key properties of N-(3-acetylphenyl)-1-benzyl-2-oxopyridine-3-carboxamide?
N-(3-acetylphenyl)-1-benzyl-2-oxopyridine-3-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-benzyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7422689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).