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

• ChemBase ID: 715513
• Molecular Formular: C19H25N5O
• Molecular Mass: 339.4347
• Monoisotopic Mass: 339.20591045
• SMILES: C1(c2nc[nH]c2CCN1)C(=O)N(Cc1ncccc1)C1CCCCC1
• Canonical SMILES: O=C(C1NCCc2c1nc[nH]2)N(C1CCCCC1)Cc1ccccn1
• InChI: InChI=1S/C19H25N5O/c25-19(18-17-16(9-11-21-18)22-13-23-17)24(15-7-2-1-3-8-15)12-14-6-4-5-10-20-14/h4-6,10,13,15,18,21H,1-3,7-9,11-12H2,(H,22,23)
• InChIKey: MDQROUARXVQNAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.888792
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.037307754
• LogD (pH = 7.4): 1.1421498
• Log P: 1.2480553
• Molar Refractivity: 95.5795 cm^3
• Polarizability: 37.28756 Å^3
• Polar Surface Area: 73.91 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: 0.26
• LOG S: -1.91
• Polar Surface Area: 73.91 Å^2
• Rotatable Bonds: 4