N-[4-(pyrrolidin-1-yl)butyl]imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 590774
• Molecular Formular: C16H22N4O
• Molecular Mass: 286.37208
• Monoisotopic Mass: 286.17936134
• SMILES: c1(cn2c(ncc2)cc1)C(=O)NCCCCN1CCCC1
• Canonical SMILES: O=C(c1ccc2n(c1)ccn2)NCCCCN1CCCC1
• InChI: InChI=1S/C16H22N4O/c21-16(14-5-6-15-17-8-12-20(15)13-14)18-7-1-2-9-19-10-3-4-11-19/h5-6,8,12-13H,1-4,7,9-11H2,(H,18,21)
• InChIKey: DFSDIGQJXLCLAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(pyrrolidin-1-yl)butyl]imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[4-(pyrrolidin-1-yl)butyl]imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-(4-pyrrolidin-1-ylbutyl)imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 1.41
• LOG S: -2.49
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 6
• H Acceptors: 3
• H Donor: 1

JChem

• Molar Refractivity: 84.9816 cm^3
• Polarizability: 31.649368 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 14.2784195
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2386966
• LogD (pH = 7.4): -1.5878873
• Log P: 0.8356302