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

• ChemBase ID: 489399
• Molecular Formular: C18H22N4O2
• Molecular Mass: 326.39288
• Monoisotopic Mass: 326.17427596
• SMILES: N1(C(C(=O)NCCc2ncccc2)c2cnccc2)CCOCC1
• Canonical SMILES: O=C(C(c1cccnc1)N1CCOCC1)NCCc1ccccn1
• InChI: InChI=1S/C18H22N4O2/c23-18(21-9-6-16-5-1-2-8-20-16)17(15-4-3-7-19-14-15)22-10-12-24-13-11-22/h1-5,7-8,14,17H,6,9-13H2,(H,21,23)
• InChIKey: DQHQOQHHHRUSQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.912456
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.25081915
• LogD (pH = 7.4): 0.4081874
• Log P: 0.41042808
• Molar Refractivity: 90.7 cm^3
• Polarizability: 35.550106 Å^3
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.08
• LOG S: -1.52
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 6