N-(4-fluorophenyl)-3-{[(6-methylpyridin-3-yl)carbamoyl]methyl}morpholine-4-carboxamide

• ChemBase ID: 619695
• Molecular Formular: C19H21FN4O3
• Molecular Mass: 372.3934432
• Monoisotopic Mass: 372.15976877
• SMILES: C(=O)(N1C(CC(=O)Nc2cnc(cc2)C)COCC1)Nc1ccc(F)cc1
• Canonical SMILES: Fc1ccc(cc1)NC(=O)N1CCOCC1CC(=O)Nc1ccc(nc1)C
• InChI: InChI=1S/C19H21FN4O3/c1-13-2-5-16(11-21-13)22-18(25)10-17-12-27-9-8-24(17)19(26)23-15-6-3-14(20)4-7-15/h2-7,11,17H,8-10,12H2,1H3,(H,22,25)(H,23,26)
• InChIKey: OJBZYUORKOPCIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-fluorophenyl)-3-{[(6-methylpyridin-3-yl)carbamoyl]methyl}morpholine-4-carboxamide
• IUPAC Traditional name: N-(4-fluorophenyl)-3-{[(6-methylpyridin-3-yl)carbamoyl]methyl}morpholine-4-carboxamide
• Synonyms: N-(4-fluorophenyl)-3-{2-[(6-methyl-3-pyridinyl)amino]-2-oxoethyl}-4-morpholinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.860356
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2570605
• LogD (pH = 7.4): 1.3700583
• Log P: 1.371727
• Molar Refractivity: 99.8481 cm^3
• Polarizability: 36.904575 Å^3
• Polar Surface Area: 83.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.21
• LOG S: -2.95
• Polar Surface Area: 83.56 Å^2
• Rotatable Bonds: 4