1-benzyl-5-chloro-2-oxopyridine-3-carboxamide

C13H11ClN2O2 — CID 13442851

IUPAC1-benzyl-5-chloro-2-oxopyridine-3-carboxamide
SMILESNC(=O)c1cc(Cl)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C13H11ClN2O2/c14-10-6-11(12(15)17)13(18)16(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H2,15,17)
InChIKeyBZLWHJSCBKGTBU-UHFFFAOYSA-N
MW262.70 g/mol
LogP1.65
Rot. Bonds3

About 1-benzyl-5-chloro-2-oxopyridine-3-carboxamide

1-benzyl-5-chloro-2-oxopyridine-3-carboxamide (PubChem CID 13442851) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 1-benzyl-5-chloro-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-chloro-2-oxopyridine-3-carboxamide
PubChem CID13442851
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name1-benzyl-5-chloro-2-oxopyridine-3-carboxamide
SMILESNC(=O)c1cc(Cl)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C13H11ClN2O2/c14-10-6-11(12(15)17)13(18)16(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H2,15,17)
InChIKeyBZLWHJSCBKGTBU-UHFFFAOYSA-N
XLogP1.65
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-5-chloro-2-oxopyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-benzyl-5-chloro-2-oxopyridine-3-carboxamide (CID 13442851) is 1-benzyl-5-chloro-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-5-chloro-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-5-chloro-2-oxopyridine-3-carboxamide is NC(=O)c1cc(Cl)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-5-chloro-2-oxopyridine-3-carboxamide?
The InChIKey is BZLWHJSCBKGTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c14-10-6-11(12(15)17)13(18)16(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H2,15,17).
What are the key properties of 1-benzyl-5-chloro-2-oxopyridine-3-carboxamide?
1-benzyl-5-chloro-2-oxopyridine-3-carboxamide has a molecular weight of 262.70 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 13442851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).