N-[3-(furan-2-yl)propyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide

• ChemBase ID: 764283
• Molecular Formular: C17H19N3O2
• Molecular Mass: 297.35166
• Monoisotopic Mass: 297.14772686
• SMILES: c1(n2c(nc1C)cc(cc2)C)C(=O)NCCCc1occc1
• Canonical SMILES: Cc1ccn2c(c1)nc(c2C(=O)NCCCc1ccco1)C
• InChI: InChI=1S/C17H19N3O2/c1-12-7-9-20-15(11-12)19-13(2)16(20)17(21)18-8-3-5-14-6-4-10-22-14/h4,6-7,9-11H,3,5,8H2,1-2H3,(H,18,21)
• InChIKey: WITDQGANIVSODW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(furan-2-yl)propyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-[3-(furan-2-yl)propyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
• Synonyms: N-[3-(2-furyl)propyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.052967
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6872154
• LogD (pH = 7.4): 1.7596884
• Log P: 1.7607006
• Molar Refractivity: 85.9352 cm^3
• Polarizability: 31.64366 Å^3
• Polar Surface Area: 59.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.11
• LOG S: -4.03
• Polar Surface Area: 59.54 Å^2
• Rotatable Bonds: 5