N-[2-(2-chlorophenyl)ethyl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 557014
• Molecular Formular: C17H16ClN3O
• Molecular Mass: 313.78144
• Monoisotopic Mass: 313.09818983
• SMILES: n12c(nc(c2)C)ccc(c1)C(=O)NCCc1c(Cl)cccc1
• Canonical SMILES: Cc1cn2c(n1)ccc(c2)C(=O)NCCc1ccccc1Cl
• InChI: InChI=1S/C17H16ClN3O/c1-12-10-21-11-14(6-7-16(21)20-12)17(22)19-9-8-13-4-2-3-5-15(13)18/h2-7,10-11H,8-9H2,1H3,(H,19,22)
• InChIKey: LZRBHNMCTPBDDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-chlorophenyl)ethyl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[2-(2-chlorophenyl)ethyl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[2-(2-chlorophenyl)ethyl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.275032
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.925319
• LogD (pH = 7.4): 2.5613356
• Log P: 2.5824149
• Molar Refractivity: 88.6754 cm^3
• Polarizability: 33.029755 Å^3
• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.11
• LOG S: -4.14
• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 4