N-{[2-(2-methoxyphenoxy)pyridin-3-yl]methyl}pyrazin-2-amine

• ChemBase ID: 724410
• Molecular Formular: C17H16N4O2
• Molecular Mass: 308.33454
• Monoisotopic Mass: 308.12732577
• SMILES: c1(c(CNc2nccnc2)cccn1)Oc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1Oc1ncccc1CNc1cnccn1
• InChI: InChI=1S/C17H16N4O2/c1-22-14-6-2-3-7-15(14)23-17-13(5-4-8-20-17)11-21-16-12-18-9-10-19-16/h2-10,12H,11H2,1H3,(H,19,21)
• InChIKey: NCRDNIXMZCKMOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(2-methoxyphenoxy)pyridin-3-yl]methyl}pyrazin-2-amine
• IUPAC Traditional name: N-{[2-(2-methoxyphenoxy)pyridin-3-yl]methyl}pyrazin-2-amine
• Synonyms: N-{[2-(2-methoxyphenoxy)-3-pyridinyl]methyl}-2-pyrazinamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.216286
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.0488167
• LogD (pH = 7.4): 2.0490084
• Log P: 2.0490108
• Molar Refractivity: 87.7247 cm^3
• Polarizability: 33.058548 Å^3
• Polar Surface Area: 69.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.12
• LOG S: -3.89
• Polar Surface Area: 69.16 Å^2
• Rotatable Bonds: 5