2-{[2-(2-chlorophenyl)-3-methyl-3H-imidazo[4,5-b]pyridin-6-yl]formamido}acetamide

• ChemBase ID: 594332
• Molecular Formular: C16H14ClN5O2
• Molecular Mass: 343.76766
• Monoisotopic Mass: 343.08360239
• SMILES: c1(n(c2c(n1)cc(C(=O)NCC(=O)N)cn2)C)c1c(Cl)cccc1
• Canonical SMILES: NC(=O)CNC(=O)c1cnc2c(c1)nc(n2C)c1ccccc1Cl
• InChI: InChI=1S/C16H14ClN5O2/c1-22-14(10-4-2-3-5-11(10)17)21-12-6-9(7-19-15(12)22)16(24)20-8-13(18)23/h2-7H,8H2,1H3,(H2,18,23)(H,20,24)
• InChIKey: JTSMNSAGIDSTRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[2-(2-chlorophenyl)-3-methyl-3H-imidazo[4,5-b]pyridin-6-yl]formamido}acetamide
• IUPAC Traditional name: 2-{[2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]formamido}acetamide
• Synonyms: N-(2-amino-2-oxoethyl)-2-(2-chlorophenyl)-3-methyl-3H-imidazo[4,5-b]pyridine-6-carboxamide (non-preferred name)

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.327422
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.0070839
• LogD (pH = 7.4): 1.0071409
• Log P: 1.0071417
• Molar Refractivity: 99.4492 cm^3
• Polarizability: 34.751038 Å^3
• Polar Surface Area: 102.9 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.03
• LOG S: -2.03
• Polar Surface Area: 102.9 Å^2
• Rotatable Bonds: 4