4-[2-(furan-3-yl)pyridine-4-carbonyl]morpholine

• ChemBase ID: 323152
• Molecular Formular: C14H14N2O3
• Molecular Mass: 258.27256
• Monoisotopic Mass: 258.10044232
• SMILES: C(=O)(N1CCOCC1)c1cc(c2cocc2)ncc1
• Canonical SMILES: O=C(c1ccnc(c1)c1cocc1)N1CCOCC1
• InChI: InChI=1S/C14H14N2O3/c17-14(16-4-7-18-8-5-16)11-1-3-15-13(9-11)12-2-6-19-10-12/h1-3,6,9-10H,4-5,7-8H2
• InChIKey: IZWCIMLHVCGLCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(furan-3-yl)pyridine-4-carbonyl]morpholine
• IUPAC Traditional name: 4-[2-(furan-3-yl)pyridine-4-carbonyl]morpholine
• Synonyms: 4-[2-(3-furyl)isonicotinoyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0082053
• LogD (pH = 7.4): 1.0083843
• Log P: 1.0083866
• Molar Refractivity: 69.125 cm^3
• Polarizability: 27.414722 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.3
• LOG S: -2.14
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 2