N-[3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propyl]-2-(morpholin-3-yl)acetamide

• ChemBase ID: 788300
• Molecular Formular: C15H23N3O3
• Molecular Mass: 293.36142
• Monoisotopic Mass: 293.17394161
• SMILES: n1(c(=O)cccc1C)CCCNC(=O)CC1NCCOC1
• Canonical SMILES: O=C(CC1COCCN1)NCCCn1c(C)cccc1=O
• InChI: InChI=1S/C15H23N3O3/c1-12-4-2-5-15(20)18(12)8-3-6-17-14(19)10-13-11-21-9-7-16-13/h2,4-5,13,16H,3,6-11H2,1H3,(H,17,19)
• InChIKey: WUSZICXCPUPFBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propyl]-2-(morpholin-3-yl)acetamide
• IUPAC Traditional name: N-[3-(2-methyl-6-oxopyridin-1-yl)propyl]-2-(morpholin-3-yl)acetamide
• Synonyms: N-[3-(6-methyl-2-oxo-1(2H)-pyridinyl)propyl]-2-(3-morpholinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.834901
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.1777775
• LogD (pH = 7.4): -1.4612099
• Log P: -0.88883686
• Molar Refractivity: 82.5985 cm^3
• Polarizability: 31.071167 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -1.48
• LOG S: -1.39
• Polar Surface Area: 72.36 Å^2
• Rotatable Bonds: 6