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

• ChemBase ID: 750841
• Molecular Formular: C18H29N3O2
• Molecular Mass: 319.44176
• Monoisotopic Mass: 319.22597718
• SMILES: n1(c(=O)cccc1C)CCCNC(=O)CCC1N(C)CCCC1
• Canonical SMILES: O=C(CCC1CCCCN1C)NCCCn1c(C)cccc1=O
• InChI: InChI=1S/C18H29N3O2/c1-15-7-5-9-18(23)21(15)14-6-12-19-17(22)11-10-16-8-3-4-13-20(16)2/h5,7,9,16H,3-4,6,8,10-14H2,1-2H3,(H,19,22)
• InChIKey: SCFFUFCWJDMPLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.106335
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.5359633
• LogD (pH = 7.4): -1.258802
• Log P: 0.85173887
• Molar Refractivity: 95.7157 cm^3
• Polarizability: 35.884163 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.98
• LOG S: -2.37
• Polar Surface Area: 54.34 Å^2
• Rotatable Bonds: 7