N-(furan-2-ylmethyl)-N,7-dimethylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 464334
• Molecular Formular: C15H15N3O2
• Molecular Mass: 269.2985
• Monoisotopic Mass: 269.11642674
• SMILES: c1(nc2n(c1)ccc(c2)C)C(=O)N(Cc1occc1)C
• Canonical SMILES: Cc1ccn2c(c1)nc(c2)C(=O)N(Cc1ccco1)C
• InChI: InChI=1S/C15H15N3O2/c1-11-5-6-18-10-13(16-14(18)8-11)15(19)17(2)9-12-4-3-7-20-12/h3-8,10H,9H2,1-2H3
• InChIKey: AAODCNNWCKFUSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-N,7-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-N,7-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-(2-furylmethyl)-N,7-dimethylimidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7367375
• LogD (pH = 7.4): 1.7414726
• Log P: 1.7415333
• Molar Refractivity: 76.4809 cm^3
• Polarizability: 28.042583 Å^3
• Polar Surface Area: 50.75 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.88
• LOG S: -2.84
• Polar Surface Area: 50.75 Å^2
• Rotatable Bonds: 3