N-benzyl-4-oxo-1H-pyridine-3-carboxamide

C13H12N2O2 — CID 23633090

IUPACN-benzyl-4-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1c[nH]ccc1=O
InChIInChI=1S/C13H12N2O2/c16-12-6-7-14-9-11(12)13(17)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,14,16)(H,15,17)
InChIKeySDLKZKMNYPLULW-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.30
Rot. Bonds3

About N-benzyl-4-oxo-1H-pyridine-3-carboxamide

N-benzyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 23633090) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-benzyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID23633090
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC NameN-benzyl-4-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1c[nH]ccc1=O
InChIInChI=1S/C13H12N2O2/c16-12-6-7-14-9-11(12)13(17)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,14,16)(H,15,17)
InChIKeySDLKZKMNYPLULW-UHFFFAOYSA-N
XLogP1.30
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103336844
N-[(1-methylpyrrol-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 106422181
N-benzyl-4-cyano-1H-pyrrole-3-carboxamide
CID 59478029
N-benzyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025213
4-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-carboxamide
CID 114039090
N-benzyl-N-ethyl-4-oxo-1H-pyridine-3-carboxamide
CID 103337000
N-benzyl-4-[(4-oxo-1H-pyridin-3-yl)oxy]butanamide
CID 57066113
N-hexyl-4-oxo-1H-pyridine-3-carboxamide
CID 103337019
2-methyl-2-[[(4-oxo-1H-pyridine-3-carbonyl)amino]methyl]butanoic acid
CID 114038729
1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide
CID 70015173
N-[2-(diethylamino)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103384967
2,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 114182013

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-benzyl-4-oxo-1H-pyridine-3-carboxamide (CID 23633090) is N-benzyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-4-oxo-1H-pyridine-3-carboxamide is O=C(NCc1ccccc1)c1c[nH]ccc1=O.
What is the InChIKey of N-benzyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is SDLKZKMNYPLULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-12-6-7-14-9-11(12)13(17)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,14,16)(H,15,17).
What are the key properties of N-benzyl-4-oxo-1H-pyridine-3-carboxamide?
N-benzyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 228.25 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 23633090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).