2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide

• ChemBase ID: 691104
• Molecular Formular: C19H22N2O4
• Molecular Mass: 342.38898
• Monoisotopic Mass: 342.15795719
• SMILES: c1(c(nc2c(c1)CCC2)OC)C(=O)NCCOc1c(OC)cccc1
• Canonical SMILES: COc1nc2CCCc2cc1C(=O)NCCOc1ccccc1OC
• InChI: InChI=1S/C19H22N2O4/c1-23-16-8-3-4-9-17(16)25-11-10-20-18(22)14-12-13-6-5-7-15(13)21-19(14)24-2/h3-4,8-9,12H,5-7,10-11H2,1-2H3,(H,20,22)
• InChIKey: VNBABVJLRLIBQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide
• IUPAC Traditional name: 2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide
• Synonyms: 2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.404387
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.6341102
• LogD (pH = 7.4): 2.6346486
• Log P: 2.634656
• Molar Refractivity: 94.1257 cm^3
• Polarizability: 35.919506 Å^3
• Polar Surface Area: 69.68 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.36
• LOG S: -4.57
• Polar Surface Area: 69.68 Å^2
• Rotatable Bonds: 7