5-{2-[2-(pyridin-2-yl)ethyl]piperidine-1-carbonyl}pyrazin-2-ol

• ChemBase ID: 552260
• Molecular Formular: C17H20N4O2
• Molecular Mass: 312.3663
• Monoisotopic Mass: 312.1586259
• SMILES: C(=O)(N1C(CCc2ncccc2)CCCC1)c1ncc(nc1)O
• Canonical SMILES: Oc1ncc(nc1)C(=O)N1CCCCC1CCc1ccccn1
• InChI: InChI=1S/C17H20N4O2/c22-16-12-19-15(11-20-16)17(23)21-10-4-2-6-14(21)8-7-13-5-1-3-9-18-13/h1,3,5,9,11-12,14H,2,4,6-8,10H2,(H,20,22)
• InChIKey: SIGOUWQMANCJJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{2-[2-(pyridin-2-yl)ethyl]piperidine-1-carbonyl}pyrazin-2-ol
• IUPAC Traditional name: 5-{2-[2-(pyridin-2-yl)ethyl]piperidine-1-carbonyl}pyrazin-2-ol
• Synonyms: 5-{[2-(2-pyridin-2-ylethyl)piperidin-1-yl]carbonyl}pyrazin-2-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.693341
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.489339
• LogD (pH = 7.4): 1.5339115
• Log P: 1.5367156
• Molar Refractivity: 85.7385 cm^3
• Polarizability: 32.856915 Å^3
• Polar Surface Area: 79.21 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.54
• LOG S: -0.64
• Polar Surface Area: 79.21 Å^2
• Rotatable Bonds: 4