N-[2-(4-methylmorpholin-2-yl)ethyl]-2-(pyridin-3-yl)acetamide

• ChemBase ID: 758877
• Molecular Formular: C14H21N3O2
• Molecular Mass: 263.33544
• Monoisotopic Mass: 263.16337693
• SMILES: N1(CC(OCC1)CCNC(=O)Cc1cnccc1)C
• Canonical SMILES: CN1CCOC(C1)CCNC(=O)Cc1cccnc1
• InChI: InChI=1S/C14H21N3O2/c1-17-7-8-19-13(11-17)4-6-16-14(18)9-12-3-2-5-15-10-12/h2-3,5,10,13H,4,6-9,11H2,1H3,(H,16,18)
• InChIKey: SZFQZTYBUBZGIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-methylmorpholin-2-yl)ethyl]-2-(pyridin-3-yl)acetamide
• IUPAC Traditional name: N-[2-(4-methylmorpholin-2-yl)ethyl]-2-(pyridin-3-yl)acetamide
• Synonyms: N-[2-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-3-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.533144
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.0450191
• LogD (pH = 7.4): -0.48044142
• Log P: -0.27007398
• Molar Refractivity: 73.5568 cm^3
• Polarizability: 28.701214 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: 4
• H Donor: 1
• Log P: -1.08
• LOG S: -0.21
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 5