N-{2-[2-(oxolan-3-yl)-1H-imidazol-1-yl]ethyl}pyridine-3-carboxamide

• ChemBase ID: 404700
• Molecular Formular: C15H18N4O2
• Molecular Mass: 286.32902
• Monoisotopic Mass: 286.14297584
• SMILES: c1(n(ccn1)CCNC(=O)c1cnccc1)C1COCC1
• Canonical SMILES: O=C(c1cccnc1)NCCn1ccnc1C1COCC1
• InChI: InChI=1S/C15H18N4O2/c20-15(12-2-1-4-16-10-12)18-6-8-19-7-5-17-14(19)13-3-9-21-11-13/h1-2,4-5,7,10,13H,3,6,8-9,11H2,(H,18,20)
• InChIKey: UHHPIWKKELCEOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[2-(oxolan-3-yl)-1H-imidazol-1-yl]ethyl}pyridine-3-carboxamide
• IUPAC Traditional name: N-{2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl}pyridine-3-carboxamide
• Synonyms: N-{2-[2-(tetrahydrofuran-3-yl)-1H-imidazol-1-yl]ethyl}nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.825704
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.9033512
• LogD (pH = 7.4): -0.09480236
• Log P: -0.007774016
• Molar Refractivity: 78.2531 cm^3
• Polarizability: 29.629177 Å^3
• Polar Surface Area: 69.04 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: -0.27
• LOG S: -2.37
• Polar Surface Area: 69.04 Å^2
• Rotatable Bonds: 5