N-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)-2-methoxy-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide

• ChemBase ID: 574434
• Molecular Formular: C17H19N3O3
• Molecular Mass: 313.35106
• Monoisotopic Mass: 313.14264148
• SMILES: n1(c(=O)cc(cc1C)C)NC(=O)c1c(nc2c(c1)CCC2)OC
• Canonical SMILES: COc1nc2CCCc2cc1C(=O)Nn1c(C)cc(cc1=O)C
• InChI: InChI=1S/C17H19N3O3/c1-10-7-11(2)20(15(21)8-10)19-16(22)13-9-12-5-4-6-14(12)18-17(13)23-3/h7-9H,4-6H2,1-3H3,(H,19,22)
• InChIKey: DHWLDENJLYUEBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)-2-methoxy-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide
• IUPAC Traditional name: N-(2,4-dimethyl-6-oxopyridin-1-yl)-2-methoxy-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide
• Synonyms: N-(4,6-dimethyl-2-oxopyridin-1(2H)-yl)-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.71621
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8272612
• LogD (pH = 7.4): 1.8275446
• Log P: 1.8277363
• Molar Refractivity: 88.76 cm^3
• Polarizability: 32.342255 Å^3
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.3
• LOG S: -3.45
• Polar Surface Area: 73.22 Å^2
• Rotatable Bonds: 3