2-anilino-6-chloro-N-oxopyridine-3-carboxamide

C12H8ClN3O2 — CID 174326544

IUPAC2-anilino-6-chloro-N-oxopyridine-3-carboxamide
SMILESO=NC(=O)c1ccc(Cl)nc1Nc1ccccc1
InChIInChI=1S/C12H8ClN3O2/c13-10-7-6-9(12(17)16-18)11(15-10)14-8-4-2-1-3-5-8/h1-7H,(H,14,15)
InChIKeyICXQWANFGYCLHY-UHFFFAOYSA-N
MW261.67 g/mol
LogP3.39
Rot. Bonds3

About 2-anilino-6-chloro-N-oxopyridine-3-carboxamide

2-anilino-6-chloro-N-oxopyridine-3-carboxamide (PubChem CID 174326544) has the molecular formula C12H8ClN3O2 and a molecular weight of 261.67 g/mol. Its IUPAC name is 2-anilino-6-chloro-N-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name2-anilino-6-chloro-N-oxopyridine-3-carboxamide
PubChem CID174326544
Molecular FormulaC12H8ClN3O2
Molecular Weight261.67 g/mol
Exact Mass261.03
IUPAC Name2-anilino-6-chloro-N-oxopyridine-3-carboxamide
SMILESO=NC(=O)c1ccc(Cl)nc1Nc1ccccc1
InChIInChI=1S/C12H8ClN3O2/c13-10-7-6-9(12(17)16-18)11(15-10)14-8-4-2-1-3-5-8/h1-7H,(H,14,15)
InChIKeyICXQWANFGYCLHY-UHFFFAOYSA-N
XLogP3.39
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.67
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-anilino-6-chloro-N-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 2-anilino-6-chloro-N-oxopyridine-3-carboxamide?
The IUPAC name of 2-anilino-6-chloro-N-oxopyridine-3-carboxamide (CID 174326544) is 2-anilino-6-chloro-N-oxopyridine-3-carboxamide.
What is the SMILES notation for 2-anilino-6-chloro-N-oxopyridine-3-carboxamide?
The canonical SMILES for 2-anilino-6-chloro-N-oxopyridine-3-carboxamide is O=NC(=O)c1ccc(Cl)nc1Nc1ccccc1.
What is the InChIKey of 2-anilino-6-chloro-N-oxopyridine-3-carboxamide?
The InChIKey is ICXQWANFGYCLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O2/c13-10-7-6-9(12(17)16-18)11(15-10)14-8-4-2-1-3-5-8/h1-7H,(H,14,15).
What are the key properties of 2-anilino-6-chloro-N-oxopyridine-3-carboxamide?
2-anilino-6-chloro-N-oxopyridine-3-carboxamide has a molecular weight of 261.67 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-6-chloro-N-oxopyridine-3-carboxamide is sourced from PubChem (CID 174326544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).