N-(4-chloro-3-methoxyphenyl)pyridine-2-carboxamide

• ChemBase ID: 312815
• Molecular Formular: C13H11ClN2O2
• Molecular Mass: 262.69164
• Monoisotopic Mass: 262.05090528
• SMILES: c1(ccccn1)C(=O)Nc1cc(c(cc1)Cl)OC
• Canonical SMILES: COc1cc(ccc1Cl)NC(=O)c1ccccn1
• InChI: InChI=1S/C13H11ClN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
• InChIKey: ARYUXFNGXHNNDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-chloro-3-methoxyphenyl)pyridine-2-carboxamide
• IUPAC Traditional name: N-(4-chloro-3-methoxyphenyl)pyridine-2-carboxamide
• Synonyms: VU 0361737

Database IDs

• CAS Number: 1161205-04-4

CALCULATED PROPERTIES

• Acid pKa: 12.31315
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6796777
• LogD (pH = 7.4): 2.6796768
• Log P: 2.679682
• Molar Refractivity: 70.3306 cm^3
• Polarizability: 26.465431 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: GluR

Product Information

• Salt Data: Free Base