N-methyl-4-(2-{[3-(trifluoromethyl)phenyl]methyl}morpholine-4-carbonyl)pyridin-2-amine

• ChemBase ID: 673717
• Molecular Formular: C19H20F3N3O2
• Molecular Mass: 379.3762096
• Monoisotopic Mass: 379.15076156
• SMILES: N1(C(=O)c2cc(ncc2)NC)CC(OCC1)Cc1cc(C(F)(F)F)ccc1
• Canonical SMILES: CNc1nccc(c1)C(=O)N1CCOC(C1)Cc1cccc(c1)C(F)(F)F
• InChI: InChI=1S/C19H20F3N3O2/c1-23-17-11-14(5-6-24-17)18(26)25-7-8-27-16(12-25)10-13-3-2-4-15(9-13)19(20,21)22/h2-6,9,11,16H,7-8,10,12H2,1H3,(H,23,24)
• InChIKey: MEOFIIIMBIYCCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-4-(2-{[3-(trifluoromethyl)phenyl]methyl}morpholine-4-carbonyl)pyridin-2-amine
• IUPAC Traditional name: N-methyl-4-(2-{[3-(trifluoromethyl)phenyl]methyl}morpholine-4-carbonyl)pyridin-2-amine
• Synonyms: N-methyl-4-({2-[3-(trifluoromethyl)benzyl]-4-morpholinyl}carbonyl)-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.7654138
• LogD (pH = 7.4): 2.8518212
• Log P: 2.853051
• Molar Refractivity: 97.3662 cm^3
• Polarizability: 35.11123 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.2
• LOG S: -5.61
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 3