2-[(furan-2-ylmethyl)(pyridin-2-ylmethyl)amino]-N-(pyrazin-2-yl)acetamide

• ChemBase ID: 668314
• Molecular Formular: C17H17N5O2
• Molecular Mass: 323.34918
• Monoisotopic Mass: 323.13822481
• SMILES: C(=O)(Nc1nccnc1)CN(Cc1occc1)Cc1ncccc1
• Canonical SMILES: O=C(Nc1nccnc1)CN(Cc1ccco1)Cc1ccccn1
• InChI: InChI=1S/C17H17N5O2/c23-17(21-16-10-18-7-8-20-16)13-22(12-15-5-3-9-24-15)11-14-4-1-2-6-19-14/h1-10H,11-13H2,(H,20,21,23)
• InChIKey: XYKFVWYRJZVJHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(furan-2-ylmethyl)(pyridin-2-ylmethyl)amino]-N-(pyrazin-2-yl)acetamide
• IUPAC Traditional name: 2-[(furan-2-ylmethyl)(pyridin-2-ylmethyl)amino]-N-(pyrazin-2-yl)acetamide
• Synonyms: 2-[(2-furylmethyl)(pyridin-2-ylmethyl)amino]-N-pyrazin-2-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.334344
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.5307168
• LogD (pH = 7.4): 0.6330374
• Log P: 0.6345597
• Molar Refractivity: 89.2867 cm^3
• Polarizability: 33.789955 Å^3
• Polar Surface Area: 84.15 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.08
• LOG S: -1.18
• Polar Surface Area: 84.15 Å^2
• Rotatable Bonds: 7