2-{2-[6-amino-5-cyano-4-(furan-2-yl)pyridin-2-yl]phenoxy}acetamide

• ChemBase ID: 616443
• Molecular Formular: C18H14N4O3
• Molecular Mass: 334.32876
• Monoisotopic Mass: 334.10659033
• SMILES: c1(c(cc(nc1N)c1c(OCC(=O)N)cccc1)c1occc1)C#N
• Canonical SMILES: N#Cc1c(N)nc(cc1c1ccco1)c1ccccc1OCC(=O)N
• InChI: InChI=1S/C18H14N4O3/c19-9-13-12(16-6-3-7-24-16)8-14(22-18(13)21)11-4-1-2-5-15(11)25-10-17(20)23/h1-8H,10H2,(H2,20,23)(H2,21,22)
• InChIKey: TVKZTSBHFJOZSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[6-amino-5-cyano-4-(furan-2-yl)pyridin-2-yl]phenoxy}acetamide
• IUPAC Traditional name: 2-{2-[6-amino-5-cyano-4-(furan-2-yl)pyridin-2-yl]phenoxy}acetamide
• Synonyms: 2-{2-[6-amino-5-cyano-4-(2-furyl)pyridin-2-yl]phenoxy}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.492507
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.6311038
• LogD (pH = 7.4): 1.6311182
• Log P: 1.6311183
• Molar Refractivity: 91.2979 cm^3
• Polarizability: 36.747833 Å^3
• Polar Surface Area: 128.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.23
• LOG S: -3.81
• Polar Surface Area: 128.16 Å^2
• Rotatable Bonds: 5