N-[3-(2,6-dimethylphenoxy)propyl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 818829
• Molecular Formular: C20H23N3O2
• Molecular Mass: 337.41552
• Monoisotopic Mass: 337.17902699
• SMILES: c1(cn2c(ncc2)cc1)C(=O)N(CCCOc1c(cccc1C)C)C
• Canonical SMILES: CN(C(=O)c1ccc2n(c1)ccn2)CCCOc1c(C)cccc1C
• InChI: InChI=1S/C20H23N3O2/c1-15-6-4-7-16(2)19(15)25-13-5-11-22(3)20(24)17-8-9-18-21-10-12-23(18)14-17/h4,6-10,12,14H,5,11,13H2,1-3H3
• InChIKey: YFJFKWWTRWCAST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2,6-dimethylphenoxy)propyl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[3-(2,6-dimethylphenoxy)propyl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[3-(2,6-dimethylphenoxy)propyl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1598423
• LogD (pH = 7.4): 2.7638624
• Log P: 2.788394
• Molar Refractivity: 100.3082 cm^3
• Polarizability: 37.28724 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.5
• LOG S: -4.65
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 6