N-[3-(morpholin-4-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 405434
• Molecular Formular: C15H20N4O2
• Molecular Mass: 288.3449
• Monoisotopic Mass: 288.1586259
• SMILES: c1(cn2c(ncc2)cc1)C(=O)NCCCN1CCOCC1
• Canonical SMILES: O=C(c1ccc2n(c1)ccn2)NCCCN1CCOCC1
• InChI: InChI=1S/C15H20N4O2/c20-15(13-2-3-14-16-5-7-19(14)12-13)17-4-1-6-18-8-10-21-11-9-18/h2-3,5,7,12H,1,4,6,8-11H2,(H,17,20)
• InChIKey: KZLKFVSYTFKQOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(morpholin-4-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[3-(morpholin-4-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.277756
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.3822672
• LogD (pH = 7.4): -0.46649897
• Log P: -0.3060304
• Molar Refractivity: 81.8705 cm^3
• Polarizability: 30.513704 Å^3
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.02
• LOG S: -2.63
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 5