N-(2-phenoxyethyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide

• ChemBase ID: 680664
• Molecular Formular: C15H18N4O2
• Molecular Mass: 286.32902
• Monoisotopic Mass: 286.14297584
• SMILES: c12C(C(=O)NCCOc3ccccc3)NCCc2[nH]cn1
• Canonical SMILES: O=C(C1NCCc2c1nc[nH]2)NCCOc1ccccc1
• InChI: InChI=1S/C15H18N4O2/c20-15(14-13-12(6-7-16-14)18-10-19-13)17-8-9-21-11-4-2-1-3-5-11/h1-5,10,14,16H,6-9H2,(H,17,20)(H,18,19)
• InChIKey: JRPVOYJQOLSKPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.8851795
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.9585253
• LogD (pH = 7.4): 0.18090215
• Log P: 0.28088576
• Molar Refractivity: 78.2873 cm^3
• Polarizability: 30.394283 Å^3
• Polar Surface Area: 79.04 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.54
• LOG S: -2.14
• Polar Surface Area: 79.04 Å^2
• Rotatable Bonds: 5