4-{2-[(2-chlorophenyl)methyl]morpholine-4-carbonyl}-N-methylpyridin-2-amine

• ChemBase ID: 680928
• Molecular Formular: C18H20ClN3O2
• Molecular Mass: 345.8233
• Monoisotopic Mass: 345.12440458
• SMILES: N1(C(=O)c2cc(ncc2)NC)CC(Cc2c(Cl)cccc2)OCC1
• Canonical SMILES: CNc1nccc(c1)C(=O)N1CCOC(C1)Cc1ccccc1Cl
• InChI: InChI=1S/C18H20ClN3O2/c1-20-17-11-14(6-7-21-17)18(23)22-8-9-24-15(12-22)10-13-4-2-3-5-16(13)19/h2-7,11,15H,8-10,12H2,1H3,(H,20,21)
• InChIKey: FPUOJSMJPQMSIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-[(2-chlorophenyl)methyl]morpholine-4-carbonyl}-N-methylpyridin-2-amine
• IUPAC Traditional name: 4-{2-[(2-chlorophenyl)methyl]morpholine-4-carbonyl}-N-methylpyridin-2-amine
• Synonyms: 4-{[2-(2-chlorobenzyl)-4-morpholinyl]carbonyl}-N-methyl-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.49161
• LogD (pH = 7.4): 2.5780172
• Log P: 2.579247
• Molar Refractivity: 96.1973 cm^3
• Polarizability: 35.89111 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.03
• LOG S: -4.7
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 3