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

• ChemBase ID: 550414
• Molecular Formular: C14H15N5O
• Molecular Mass: 269.3018
• Monoisotopic Mass: 269.12766013
• SMILES: c1(cn2c(ncc2)cc1)C(=O)NCCCn1cncc1
• Canonical SMILES: O=C(c1ccc2n(c1)ccn2)NCCCn1ccnc1
• InChI: InChI=1S/C14H15N5O/c20-14(17-4-1-7-18-8-5-15-11-18)12-2-3-13-16-6-9-19(13)10-12/h2-3,5-6,8-11H,1,4,7H2,(H,17,20)
• InChIKey: YQCPOKKDOGEXAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.277603
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3647499
• LogD (pH = 7.4): -0.29286796
• Log P: -0.19924755
• Molar Refractivity: 76.7174 cm^3
• Polarizability: 28.065731 Å^3
• Polar Surface Area: 64.22 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: 0.14
• LOG S: -2.59
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 5