3-[4-[(6-chloropyridine-3-carbonyl)amino]phenyl]propanoic acid

C15H13ClN2O3 — CID 81368393

IUPAC3-[4-[(6-chloropyridine-3-carbonyl)amino]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NC(=O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C15H13ClN2O3/c16-13-7-4-11(9-17-13)15(21)18-12-5-1-10(2-6-12)3-8-14(19)20/h1-2,4-7,9H,3,8H2,(H,18,21)(H,19,20)
InChIKeyXPBJRHFQPMLONT-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.00
Rot. Bonds5

About 3-[4-[(6-chloropyridine-3-carbonyl)amino]phenyl]propanoic acid

3-[4-[(6-chloropyridine-3-carbonyl)amino]phenyl]propanoic acid (PubChem CID 81368393) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 3-[4-[(6-chloropyridine-3-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(6-chloropyridine-3-carbonyl)amino]phenyl]propanoic acid
PubChem CID81368393
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name3-[4-[(6-chloropyridine-3-carbonyl)amino]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NC(=O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C15H13ClN2O3/c16-13-7-4-11(9-17-13)15(21)18-12-5-1-10(2-6-12)3-8-14(19)20/h1-2,4-7,9H,3,8H2,(H,18,21)(H,19,20)
InChIKeyXPBJRHFQPMLONT-UHFFFAOYSA-N
XLogP3.00
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-[(6-chloropyridine-3-carbonyl)amino]phenyl]propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-[4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]phenyl]propanoic acid
CID 119252399
3-[4-[(4-propan-2-ylphenyl)carbamoyl]phenyl]propanoic acid
CID 28760251
3-[4-[(5-fluoropyridine-2-carbonyl)amino]phenyl]propanoic acid
CID 104638373
6-chloro-N-(2-chloropyrimidin-5-yl)pyridine-3-carboxamide
CID 10125350
N-(4-butan-2-ylphenyl)-6-chloropyridine-3-carboxamide
CID 4555488
[4-(phenylcarbamoyl)phenyl]methyl 6-chloropyridine-3-carboxylate
CID 8017399
N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide
CID 103789282
6-bromo-N-(6-chloro-3-pyridinyl)pyridine-3-carboxamide
CID 79420958
N-[4-(1-aminoethyl)phenyl]-6-chloropyridine-3-carboxamide
CID 87629972
6-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 113226989
N-(4-bromo-3-chlorophenyl)-6-chloropyridine-3-carboxamide
CID 113278384
6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide
CID 91312921

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(6-chloropyridine-3-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(6-chloropyridine-3-carbonyl)amino]phenyl]propanoic acid (CID 81368393) is 3-[4-[(6-chloropyridine-3-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(6-chloropyridine-3-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(6-chloropyridine-3-carbonyl)amino]phenyl]propanoic acid is O=C(O)CCc1ccc(NC(=O)c2ccc(Cl)nc2)cc1.
What is the InChIKey of 3-[4-[(6-chloropyridine-3-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is XPBJRHFQPMLONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-13-7-4-11(9-17-13)15(21)18-12-5-1-10(2-6-12)3-8-14(19)20/h1-2,4-7,9H,3,8H2,(H,18,21)(H,19,20).
What are the key properties of 3-[4-[(6-chloropyridine-3-carbonyl)amino]phenyl]propanoic acid?
3-[4-[(6-chloropyridine-3-carbonyl)amino]phenyl]propanoic acid has a molecular weight of 304.73 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(6-chloropyridine-3-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 81368393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).