4-(2-benzylmorpholine-4-carbonyl)pyridin-2-amine

• ChemBase ID: 759472
• Molecular Formular: C17H19N3O2
• Molecular Mass: 297.35166
• Monoisotopic Mass: 297.14772686
• SMILES: N1(C(=O)c2cc(ncc2)N)CC(OCC1)Cc1ccccc1
• Canonical SMILES: Nc1nccc(c1)C(=O)N1CCOC(C1)Cc1ccccc1
• InChI: InChI=1S/C17H19N3O2/c18-16-11-14(6-7-19-16)17(21)20-8-9-22-15(12-20)10-13-4-2-1-3-5-13/h1-7,11,15H,8-10,12H2,(H2,18,19)
• InChIKey: WYTFBHQZKCODAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-benzylmorpholine-4-carbonyl)pyridin-2-amine
• IUPAC Traditional name: 4-(2-benzylmorpholine-4-carbonyl)pyridin-2-amine
• Synonyms: 4-[(2-benzyl-4-morpholinyl)carbonyl]-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5539771
• LogD (pH = 7.4): 1.6717515
• Log P: 1.6734983
• Molar Refractivity: 85.8991 cm^3
• Polarizability: 32.168137 Å^3
• Polar Surface Area: 68.45 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.5
• LOG S: -3.67
• Polar Surface Area: 68.45 Å^2
• Rotatable Bonds: 3