4-(2-methylfuran-3-carbonyl)-N-[2-(pyridin-2-yl)ethyl]morpholine-2-carboxamide

• ChemBase ID: 511794
• Molecular Formular: C18H21N3O4
• Molecular Mass: 343.37704
• Monoisotopic Mass: 343.15320617
• SMILES: c1(C(=O)N2CC(C(=O)NCCc3ncccc3)OCC2)c(occ1)C
• Canonical SMILES: O=C(C1OCCN(C1)C(=O)c1ccoc1C)NCCc1ccccn1
• InChI: InChI=1S/C18H21N3O4/c1-13-15(6-10-24-13)18(23)21-9-11-25-16(12-21)17(22)20-8-5-14-4-2-3-7-19-14/h2-4,6-7,10,16H,5,8-9,11-12H2,1H3,(H,20,22)
• InChIKey: XLFAZMNBYOIBGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methylfuran-3-carbonyl)-N-[2-(pyridin-2-yl)ethyl]morpholine-2-carboxamide
• IUPAC Traditional name: 4-(2-methylfuran-3-carbonyl)-N-[2-(pyridin-2-yl)ethyl]morpholine-2-carboxamide
• Synonyms: 4-(2-methyl-3-furoyl)-N-[2-(2-pyridinyl)ethyl]-2-morpholinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.4149275
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.28050575
• LogD (pH = 7.4): 0.32391816
• Log P: 0.324503
• Molar Refractivity: 90.8491 cm^3
• Polarizability: 34.613087 Å^3
• Polar Surface Area: 84.67 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: -1.53
• Polar Surface Area: 84.67 Å^2
• Rotatable Bonds: 5