N-{2-[(3-methylpyridin-2-yl)amino]ethyl}-5-(morpholin-4-ylmethyl)furan-3-carboxamide

• ChemBase ID: 579374
• Molecular Formular: C18H24N4O3
• Molecular Mass: 344.40816
• Monoisotopic Mass: 344.18484065
• SMILES: c1(cc(oc1)CN1CCOCC1)C(=O)NCCNc1ncccc1C
• Canonical SMILES: O=C(c1coc(c1)CN1CCOCC1)NCCNc1ncccc1C
• InChI: InChI=1S/C18H24N4O3/c1-14-3-2-4-19-17(14)20-5-6-21-18(23)15-11-16(25-13-15)12-22-7-9-24-10-8-22/h2-4,11,13H,5-10,12H2,1H3,(H,19,20)(H,21,23)
• InChIKey: MRXDFDDQZLJGIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[(3-methylpyridin-2-yl)amino]ethyl}-5-(morpholin-4-ylmethyl)furan-3-carboxamide
• IUPAC Traditional name: N-{2-[(3-methylpyridin-2-yl)amino]ethyl}-5-(morpholin-4-ylmethyl)furan-3-carboxamide
• Synonyms: N-{2-[(3-methyl-2-pyridinyl)amino]ethyl}-5-(4-morpholinylmethyl)-3-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.907079
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.58856153
• LogD (pH = 7.4): 0.81873035
• Log P: 0.9954106
• Molar Refractivity: 97.5218 cm^3
• Polarizability: 36.032715 Å^3
• Polar Surface Area: 79.63 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.5
• LOG S: -2.14
• Polar Surface Area: 79.63 Å^2
• Rotatable Bonds: 7