N-[2-(oxolan-3-ylformamido)ethyl]pyridine-3-carboxamide

• ChemBase ID: 392566
• Molecular Formular: C13H17N3O3
• Molecular Mass: 263.29238
• Monoisotopic Mass: 263.12699142
• SMILES: C(=O)(c1cnccc1)NCCNC(=O)C1COCC1
• Canonical SMILES: O=C(C1COCC1)NCCNC(=O)c1cccnc1
• InChI: InChI=1S/C13H17N3O3/c17-12(10-2-1-4-14-8-10)15-5-6-16-13(18)11-3-7-19-9-11/h1-2,4,8,11H,3,5-7,9H2,(H,15,17)(H,16,18)
• InChIKey: RFLGHHLQYXJXMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(oxolan-3-ylformamido)ethyl]pyridine-3-carboxamide
• IUPAC Traditional name: N-[2-(oxolan-3-ylformamido)ethyl]pyridine-3-carboxamide
• Synonyms: N-{2-[(tetrahydrofuran-3-ylcarbonyl)amino]ethyl}nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.802498
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.0210043
• LogD (pH = 7.4): -1.0159677
• Log P: -1.0159029
• Molar Refractivity: 69.2655 cm^3
• Polarizability: 26.383102 Å^3
• Polar Surface Area: 80.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -1.19
• LOG S: -1.42
• Polar Surface Area: 80.32 Å^2
• Rotatable Bonds: 5