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

• ChemBase ID: 748818
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: N1(C(C(=O)NCCCc2ncccc2)c2cnccc2)CCOCC1
• Canonical SMILES: O=C(C(c1cccnc1)N1CCOCC1)NCCCc1ccccn1
• InChI: InChI=1S/C19H24N4O2/c24-19(22-10-4-7-17-6-1-2-9-21-17)18(16-5-3-8-20-15-16)23-11-13-25-14-12-23/h1-3,5-6,8-9,15,18H,4,7,10-14H2,(H,22,24)
• InChIKey: WANLXEAPLATVPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)-N-[3-(pyridin-2-yl)propyl]-2-(pyridin-3-yl)acetamide
• IUPAC Traditional name: 2-(morpholin-4-yl)-N-[3-(pyridin-2-yl)propyl]-2-(pyridin-3-yl)acetamide
• Synonyms: 2-(4-morpholinyl)-2-(3-pyridinyl)-N-[3-(2-pyridinyl)propyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.988238
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.52809685
• LogD (pH = 7.4): 0.6966696
• Log P: 0.6990893
• Molar Refractivity: 95.455 cm^3
• Polarizability: 37.391068 Å^3
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.37
• LOG S: -0.7
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 7