5-ACETYL-6-METHYL-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBOXAMIDE

The 3-Pyridinecarboxamide,5-acetyl-1,2-dihydro-6-methyl-2-oxo-, with CAS registry number 52600-60-9, has the systematic name of 5-acetyl-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide. And the chemical formula of this chemical is C₉H₁₀N₂O₃. Its molecular weight is 194.19.

Physical properties of 3-Pyridinecarboxamide,5-acetyl-1,2-dihydro-6-methyl-2-oxo-: (1)ACD/LogP: -1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.73; (4)ACD/LogD (pH 7.4): -1.75; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.73; (8)ACD/KOC (pH 7.4): 2.6; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 57.69 Å²; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 47.75 cm³; (15)Molar Volume: 149.2 cm³; (16)Polarizability: 18.93×10^-24cm³; (17)Surface Tension: 50.8 dyne/cm; (18)Density: 1.301 g/cm³; (19)Flash Point: 245.8 °C; (20)Enthalpy of Vaporization: 74.78 kJ/mol; (21)Boiling Point: 482.9 °C at 760 mmHg; (22)Vapour Pressure: 1.76E-09 mmHg at 25°C.

Preparation: this chemical can be prepared by 5-acetyl-6-methyl-2-oxo-1,2-dihydro-pyridine-3-carbonitrile. This reaction will need reagent aq. H₂SO₄. The reaction time is 2 hour(s) with reaction temperature of 50 ℃. The yield is about 75%.

Uses of 3-Pyridinecarboxamide,5-acetyl-1,2-dihydro-6-methyl-2-oxo-: it can be used to produce 6-Methyl-5-acetyl-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid. This reaction will need reagent 6N hydrochloric acid. The reaction time is 10 hour(s). The yield is about 70%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(\C1=C\C(=C(/NC1=O)C)C(=O)C)N
(2)InChI: InChI=1/C9H10N2O3/c1-4-6(5(2)12)3-7(8(10)13)9(14)11-4/h3H,1-2H3,(H2,10,13)(H,11,14)
(3)InChIKey: OHAQWEZPEZJQRK-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C9H10N2O3/c1-4-6(5(2)12)3-7(8(10)13)9(14)11-4/h3H,1-2H3,(H2,10,13)(H,11,14)
(5)Std. InChIKey: OHAQWEZPEZJQRK-UHFFFAOYSA-N