3-[1-(1-ethyl-2-oxo-1,2-dihydropyridin-4-yl)-N-(2-phenylethyl)formamido]propanamide

• ChemBase ID: 565920
• Molecular Formular: C19H23N3O3
• Molecular Mass: 341.40422
• Monoisotopic Mass: 341.17394161
• SMILES: c1(C(=O)N(CCC(=O)N)CCc2ccccc2)cc(=O)n(cc1)CC
• Canonical SMILES: CCn1ccc(cc1=O)C(=O)N(CCc1ccccc1)CCC(=O)N
• InChI: InChI=1S/C19H23N3O3/c1-2-21-12-9-16(14-18(21)24)19(25)22(13-10-17(20)23)11-8-15-6-4-3-5-7-15/h3-7,9,12,14H,2,8,10-11,13H2,1H3,(H2,20,23)
• InChIKey: DNVSYNLFIGOFET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(1-ethyl-2-oxo-1,2-dihydropyridin-4-yl)-N-(2-phenylethyl)formamido]propanamide
• IUPAC Traditional name: 3-[1-(1-ethyl-2-oxopyridin-4-yl)-N-(2-phenylethyl)formamido]propanamide
• Synonyms: N-(3-amino-3-oxopropyl)-1-ethyl-2-oxo-N-(2-phenylethyl)-1,2-dihydropyridine-4-carboxamide (non-preferred name)

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.137585
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.59399635
• LogD (pH = 7.4): 0.59399706
• Log P: 0.59399706
• Molar Refractivity: 97.2792 cm^3
• Polarizability: 36.68669 Å^3
• Polar Surface Area: 83.71 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.26
• LOG S: -3.22
• Polar Surface Area: 85.4 Å^2
• Rotatable Bonds: 8