1-ethyl-6-methyl-3-[3-(pyridin-4-yl)azetidine-1-carbonyl]-1,2-dihydropyridin-2-one

• ChemBase ID: 613229
• Molecular Formular: C17H19N3O2
• Molecular Mass: 297.35166
• Monoisotopic Mass: 297.14772686
• SMILES: c1(c(=O)n(c(cc1)C)CC)C(=O)N1CC(C1)c1ccncc1
• Canonical SMILES: CCn1c(C)ccc(c1=O)C(=O)N1CC(C1)c1ccncc1
• InChI: InChI=1S/C17H19N3O2/c1-3-20-12(2)4-5-15(17(20)22)16(21)19-10-14(11-19)13-6-8-18-9-7-13/h4-9,14H,3,10-11H2,1-2H3
• InChIKey: AGBXUNZIBUIKIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-6-methyl-3-[3-(pyridin-4-yl)azetidine-1-carbonyl]-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 1-ethyl-6-methyl-3-[3-(pyridin-4-yl)azetidine-1-carbonyl]pyridin-2-one
• Synonyms: 1-ethyl-6-methyl-3-{[3-(4-pyridinyl)-1-azetidinyl]carbonyl}-2(1H)-pyridinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.19663149
• LogD (pH = 7.4): 0.3092594
• Log P: 0.31096113
• Molar Refractivity: 86.4505 cm^3
• Polarizability: 32.004402 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.03
• LOG S: -1.4
• Polar Surface Area: 55.2 Å^2
• Rotatable Bonds: 3