N-[2-methoxy-1-(pyridin-2-yl)ethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 569725
• Molecular Formular: C17H18N4O2
• Molecular Mass: 310.35042
• Monoisotopic Mass: 310.14297584
• SMILES: c1(nc2n(c1)cccc2)C(=O)N(C(c1ncccc1)COC)C
• Canonical SMILES: COCC(N(C(=O)c1nc2n(c1)cccc2)C)c1ccccn1
• InChI: InChI=1S/C17H18N4O2/c1-20(15(12-23-2)13-7-3-5-9-18-13)17(22)14-11-21-10-6-4-8-16(21)19-14/h3-11,15H,12H2,1-2H3
• InChIKey: CFCUIXRNKCGYPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-methoxy-1-(pyridin-2-yl)ethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-[2-methoxy-1-(pyridin-2-yl)ethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylimidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• LOG S: -0.5
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 5
• H Acceptors: 4
• H Donor: 0
• Log P: 0.39

JChem

• Molar Refractivity: 87.1585 cm^3
• Polarizability: 32.883816 Å^3
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.179825
• LogD (pH = 7.4): 1.1964312
• Log P: 1.1966455