N-[3-(2-chlorophenoxy)propyl]-N-methyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide

• ChemBase ID: 593357
• Molecular Formular: C17H21ClN4O2
• Molecular Mass: 348.82724
• Monoisotopic Mass: 348.13530361
• SMILES: C1(c2nc[nH]c2CCN1)C(=O)N(CCCOc1c(Cl)cccc1)C
• Canonical SMILES: O=C(C1NCCc2c1nc[nH]2)N(CCCOc1ccccc1Cl)C
• InChI: InChI=1S/C17H21ClN4O2/c1-22(9-4-10-24-14-6-3-2-5-12(14)18)17(23)16-15-13(7-8-19-16)20-11-21-15/h2-3,5-6,11,16,19H,4,7-10H2,1H3,(H,20,21)
• InChIKey: OMEHZPJHGZLDAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-chlorophenoxy)propyl]-N-methyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide
• IUPAC Traditional name: N-[3-(2-chlorophenoxy)propyl]-N-methyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide
• Synonyms: N-[3-(2-chlorophenoxy)propyl]-N-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.888799
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.10015037
• LogD (pH = 7.4): 1.0626757
• Log P: 1.1685662
• Molar Refractivity: 92.8542 cm^3
• Polarizability: 35.97984 Å^3
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.64
• LOG S: -2.29
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 6