2-AMINO-4,6-DIMETHYL-3-PYRIDINECARBOXAMIDE

The 3-Pyridinecarboxamide,2-amino-4,6-dimethyl-, with the CAS registry number 7144-20-9, has the systematic name of 2-amino-4,6-dimethylpyridine-3-carboxamide. It is a kind of beige powder, and the molecular formula of the chemical is C₈H₁₁N₃O.

The characteristics of 3-Pyridinecarboxamide,2-amino-4,6-dimethyl- are as followings: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.4; (4)ACD/LogD (pH 7.4): 1.69; (5)ACD/BCF (pH 5.5): 5.73; (6)ACD/BCF (pH 7.4): 11.32; (7)ACD/KOC (pH 5.5): 99.71; (8)ACD/KOC (pH 7.4): 196.97; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 36.44 Å²; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 47.16 cm³; (15)Molar Volume: 136.1 cm³; (16)Polarizability: 18.69×10^-24cm³; (17)Surface Tension: 58.7 dyne/cm; (18)Density: 1.212 g/cm³; (19)Flash Point: 116.1 °C; (20)Enthalpy of Vaporization: 50.63 kJ/mol; (21)Boiling Point: 268.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00776 mmHg at 25°C.

Preparation of 3-Pyridinecarboxamide,2-amino-4,6-dimethyl-: This chemical can be prepared by pentane-2,4-dione and malonic acid diamide-imide; hydrochloride. The reaction will need reagent KOH, and the menstruum methanol. And the yield is about 92%. 

Uses of 3-Pyridinecarboxamide,2-amino-4,6-dimethyl-: It can react with 4,5-dimethoxy-phthalaldehyde to produce 2,4-Dimethyl-8,9-dimethoxy-5,11-dihydro-pyrido[3',2':5,6]pyrimido[2,1-a]isoindol-5-on-hydrochlorid. This reaction will need reagent aq. HCl, and the menstruum methanol. And the yield is about 39%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1c(cc(nc1N)C)C)N
(2)InChI: InChI=1/C8H11N3O/c1-4-3-5(2)11-7(9)6(4)8(10)12/h3H,1-2H3,(H2,9,11)(H2,10,12)
(3)InChIKey: UYDGECQHZQNTQS-UHFFFAOYAA