N-(4-acetamidophenyl)-6-chloropyridine-3-carboxamide

C14H12ClN3O2 — CID 2121893

IUPACN-(4-acetamidophenyl)-6-chloropyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C14H12ClN3O2/c1-9(19)17-11-3-5-12(6-4-11)18-14(20)10-2-7-13(15)16-8-10/h2-8H,1H3,(H,17,19)(H,18,20)
InChIKeyZEDHYTUJIWITOZ-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.95
Rot. Bonds3

About N-(4-acetamidophenyl)-6-chloropyridine-3-carboxamide

N-(4-acetamidophenyl)-6-chloropyridine-3-carboxamide (PubChem CID 2121893) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-6-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-6-chloropyridine-3-carboxamide
PubChem CID2121893
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC NameN-(4-acetamidophenyl)-6-chloropyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C14H12ClN3O2/c1-9(19)17-11-3-5-12(6-4-11)18-14(20)10-2-7-13(15)16-8-10/h2-8H,1H3,(H,17,19)(H,18,20)
InChIKeyZEDHYTUJIWITOZ-UHFFFAOYSA-N
XLogP2.95
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-acetamidophenyl)-6-chloropyridine-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 N-(4-acetamidophenyl)-6-chloropyridine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-6-chloropyridine-3-carboxamide (CID 2121893) is N-(4-acetamidophenyl)-6-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-6-chloropyridine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-6-chloropyridine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)nc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-6-chloropyridine-3-carboxamide?
The InChIKey is ZEDHYTUJIWITOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-9(19)17-11-3-5-12(6-4-11)18-14(20)10-2-7-13(15)16-8-10/h2-8H,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(4-acetamidophenyl)-6-chloropyridine-3-carboxamide?
N-(4-acetamidophenyl)-6-chloropyridine-3-carboxamide has a molecular weight of 289.72 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-6-chloropyridine-3-carboxamide is sourced from PubChem (CID 2121893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).