5-[2-(pyridin-2-yl)pyrrolidine-1-carbonyl]pyrazin-2-ol

• ChemBase ID: 821361
• Molecular Formular: C14H14N4O2
• Molecular Mass: 270.28656
• Monoisotopic Mass: 270.11167571
• SMILES: N1(C(=O)c2ncc(nc2)O)C(c2ncccc2)CCC1
• Canonical SMILES: Oc1cnc(cn1)C(=O)N1CCCC1c1ccccn1
• InChI: InChI=1S/C14H14N4O2/c19-13-9-16-11(8-17-13)14(20)18-7-3-5-12(18)10-4-1-2-6-15-10/h1-2,4,6,8-9,12H,3,5,7H2,(H,17,19)
• InChIKey: FLTUOWUDAUEWQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[2-(pyridin-2-yl)pyrrolidine-1-carbonyl]pyrazin-2-ol
• IUPAC Traditional name: 5-[2-(pyridin-2-yl)pyrrolidine-1-carbonyl]pyrazin-2-ol
• Synonyms: 5-{[2-(2-pyridinyl)-1-pyrrolidinyl]carbonyl}-2-pyrazinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.6881485
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.70437276
• LogD (pH = 7.4): 0.7162813
• Log P: 0.71866226
• Molar Refractivity: 71.7582 cm^3
• Polarizability: 27.349308 Å^3
• Polar Surface Area: 79.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.96
• LOG S: -0.36
• Polar Surface Area: 79.21 Å^2
• Rotatable Bonds: 2