2-(2-methoxypyridin-3-yl)-6-(piperidine-1-carbonyl)pyrazine

• ChemBase ID: 790342
• Molecular Formular: C16H18N4O2
• Molecular Mass: 298.33972
• Monoisotopic Mass: 298.14297584
• SMILES: c1(nc(c2c(nccc2)OC)cnc1)C(=O)N1CCCCC1
• Canonical SMILES: COc1ncccc1c1cncc(n1)C(=O)N1CCCCC1
• InChI: InChI=1S/C16H18N4O2/c1-22-15-12(6-5-7-18-15)13-10-17-11-14(19-13)16(21)20-8-3-2-4-9-20/h5-7,10-11H,2-4,8-9H2,1H3
• InChIKey: QWQSPVIHBVQPPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxypyridin-3-yl)-6-(piperidine-1-carbonyl)pyrazine
• IUPAC Traditional name: 2-(2-methoxypyridin-3-yl)-6-(piperidine-1-carbonyl)pyrazine
• Synonyms: 2-(2-methoxypyridin-3-yl)-6-(piperidin-1-ylcarbonyl)pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.3240737
• LogD (pH = 7.4): 1.3242965
• Log P: 1.3242993
• Molar Refractivity: 81.77 cm^3
• Polarizability: 32.43783 Å^3
• Polar Surface Area: 68.21 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.03
• LOG S: -2.26
• Polar Surface Area: 68.21 Å^2
• Rotatable Bonds: 3