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

• ChemBase ID: 703047
• Molecular Formular: C15H23N3O2
• Molecular Mass: 277.36202
• Monoisotopic Mass: 277.17902699
• SMILES: n1(c(=O)cccc1C)CCC(=O)NCCN1CCCC1
• Canonical SMILES: O=C(CCn1c(C)cccc1=O)NCCN1CCCC1
• InChI: InChI=1S/C15H23N3O2/c1-13-5-4-6-15(20)18(13)11-7-14(19)16-8-12-17-9-2-3-10-17/h4-6H,2-3,7-12H2,1H3,(H,16,19)
• InChIKey: LAQAAQKCEWTTSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)-N-[2-(pyrrolidin-1-yl)ethyl]propanamide
• IUPAC Traditional name: 3-(2-methyl-6-oxopyridin-1-yl)-N-[2-(pyrrolidin-1-yl)ethyl]propanamide
• Synonyms: 3-(6-methyl-2-oxopyridin-1(2H)-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.928154
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.9259462
• LogD (pH = 7.4): -1.186394
• Log P: -0.0012178373
• Molar Refractivity: 81.8241 cm^3
• Polarizability: 30.362402 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.05
• LOG S: -2.58
• Polar Surface Area: 54.34 Å^2
• Rotatable Bonds: 6