2-(2-ethoxypyridin-3-yl)-3-(pyrrolidin-1-yl)pyrazine

• ChemBase ID: 521452
• Molecular Formular: C15H18N4O
• Molecular Mass: 270.32962
• Monoisotopic Mass: 270.14806122
• SMILES: c1(c(N2CCCC2)nccn1)c1c(nccc1)OCC
• Canonical SMILES: CCOc1ncccc1c1nccnc1N1CCCC1
• InChI: InChI=1S/C15H18N4O/c1-2-20-15-12(6-5-7-18-15)13-14(17-9-8-16-13)19-10-3-4-11-19/h5-9H,2-4,10-11H2,1H3
• InChIKey: NEISPJDZTWIANU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-ethoxypyridin-3-yl)-3-(pyrrolidin-1-yl)pyrazine
• IUPAC Traditional name: 2-(2-ethoxypyridin-3-yl)-3-(pyrrolidin-1-yl)pyrazine
• Synonyms: 2-(2-ethoxypyridin-3-yl)-3-pyrrolidin-1-ylpyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.25496
• LogD (pH = 7.4): 2.2551944
• Log P: 2.2551973
• Molar Refractivity: 78.1599 cm^3
• Polarizability: 30.740967 Å^3
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.61
• LOG S: -3.4
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 4