6-(5,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonyl)-N,N,1-trimethyl-1H,4H,5H,6H,7H-pyrrolo[2,3-c]pyridine-2-carboxamide

• ChemBase ID: 479247
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: c1(C(=O)N2Cc3n(c(cc3CC2)C(=O)N(C)C)C)c(=O)[nH]c(c(c1)C)C
• Canonical SMILES: CN(C(=O)c1cc2c(n1C)CN(CC2)C(=O)c1cc(C)c([nH]c1=O)C)C
• InChI: InChI=1S/C19H24N4O3/c1-11-8-14(17(24)20-12(11)2)18(25)23-7-6-13-9-15(19(26)21(3)4)22(5)16(13)10-23/h8-9H,6-7,10H2,1-5H3,(H,20,24)
• InChIKey: FMIJOYUCINHYPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(5,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonyl)-N,N,1-trimethyl-1H,4H,5H,6H,7H-pyrrolo[2,3-c]pyridine-2-carboxamide
• IUPAC Traditional name: 6-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-N,N,1-trimethyl-4H,5H,7H-pyrrolo[2,3-c]pyridine-2-carboxamide
• Synonyms: 6-[(5,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)carbonyl]-N,N,1-trimethyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.002513
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.10413659
• LogD (pH = 7.4): -0.10423112
• Log P: -0.10413504
• Molar Refractivity: 102.0408 cm^3
• Polarizability: 37.074726 Å^3
• Polar Surface Area: 74.65 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -1.57
• LOG S: -1.77
• Polar Surface Area: 78.41 Å^2
• Rotatable Bonds: 2