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

C13H12N2O2 — CID 11736320

IUPAC6-benzyl-4-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1c[nH]c(Cc2ccccc2)cc1=O
InChIInChI=1S/C13H12N2O2/c14-13(17)11-8-15-10(7-12(11)16)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,14,17)(H,15,16)
InChIKeyRUUZDCZRFRLJFC-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.06
Rot. Bonds3

About 6-benzyl-4-oxo-1H-pyridine-3-carboxamide

6-benzyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 11736320) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 6-benzyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-benzyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID11736320
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name6-benzyl-4-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1c[nH]c(Cc2ccccc2)cc1=O
InChIInChI=1S/C13H12N2O2/c14-13(17)11-8-15-10(7-12(11)16)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,14,17)(H,15,16)
InChIKeyRUUZDCZRFRLJFC-UHFFFAOYSA-N
XLogP1.06
TPSA75.95 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 ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-benzyl-4-oxo-1H-pyridine-3-carboxamide (CID 11736320) is 6-benzyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-benzyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-benzyl-4-oxo-1H-pyridine-3-carboxamide is NC(=O)c1c[nH]c(Cc2ccccc2)cc1=O.
What is the InChIKey of 6-benzyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is RUUZDCZRFRLJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c14-13(17)11-8-15-10(7-12(11)16)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,14,17)(H,15,16).
What are the key properties of 6-benzyl-4-oxo-1H-pyridine-3-carboxamide?
6-benzyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 228.25 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 11736320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).