5-(morpholin-4-ylmethyl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide

• ChemBase ID: 635244
• Molecular Formular: C16H19N3O3
• Molecular Mass: 301.34036
• Monoisotopic Mass: 301.14264148
• SMILES: c1(C(=O)NCc2ncccc2)cc(oc1)CN1CCOCC1
• Canonical SMILES: O=C(c1coc(c1)CN1CCOCC1)NCc1ccccn1
• InChI: InChI=1S/C16H19N3O3/c20-16(18-10-14-3-1-2-4-17-14)13-9-15(22-12-13)11-19-5-7-21-8-6-19/h1-4,9,12H,5-8,10-11H2,(H,18,20)
• InChIKey: BPMOUOLIKLZKRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(morpholin-4-ylmethyl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide
• IUPAC Traditional name: 5-(morpholin-4-ylmethyl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide
• Synonyms: 5-(morpholin-4-ylmethyl)-N-(pyridin-2-ylmethyl)-3-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.7684555
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.07008981
• LogD (pH = 7.4): 0.41254196
• Log P: 0.4189777
• Molar Refractivity: 81.9747 cm^3
• Polarizability: 31.280457 Å^3
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.22
• LOG S: -1.22
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 5