2-(6-methoxypyridin-3-yl)-4-(piperidine-1-carbonyl)pyridine

• ChemBase ID: 650203
• Molecular Formular: C17H19N3O2
• Molecular Mass: 297.35166
• Monoisotopic Mass: 297.14772686
• SMILES: C(=O)(N1CCCCC1)c1cc(c2cnc(cc2)OC)ncc1
• Canonical SMILES: COc1ccc(cn1)c1nccc(c1)C(=O)N1CCCCC1
• InChI: InChI=1S/C17H19N3O2/c1-22-16-6-5-14(12-19-16)15-11-13(7-8-18-15)17(21)20-9-3-2-4-10-20/h5-8,11-12H,2-4,9-10H2,1H3
• InChIKey: XPEBGQNGGCFWCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methoxypyridin-3-yl)-4-(piperidine-1-carbonyl)pyridine
• IUPAC Traditional name: 2-(6-methoxypyridin-3-yl)-4-(piperidine-1-carbonyl)pyridine
• Synonyms: 6'-methoxy-4-(piperidin-1-ylcarbonyl)-2,3'-bipyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1555839
• LogD (pH = 7.4): 2.1561148
• Log P: 2.1561215
• Molar Refractivity: 84.2989 cm^3
• Polarizability: 33.31681 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.29
• LOG S: -2.47
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 3