4-(2-Methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinecarboxamide
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4-(2-Methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinecarboxamide
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CAS No:
342417-01-0
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Formula:
C18H22N4O
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Chemical Name:
4-(2-Methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinecarboxamide
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Synonyms:
3-Pyridinecarboxamide,4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-;4-(2-Methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinecarboxamide;6-(4-Methylpiperazin-1-yl)-4-o-tolylnicotinamide
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CAS No:
4-(2-Methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinecarboxamide Basic Attributes
310.39
310.39
608-960-8
DTXSID30467400
2933599090
4-(2-Methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinecarboxamide Use and Manufacturing
Step 3 Step 3: (0177) 1.0 g (4.05 mMol) 6-Chloro-4-o-tolyl-nicotinamide in 9.0 ml 1-methyl-piperazine was heated to 100° C. for 2 hours. The excess N-methyl-piperazine was removed under high vacuum and the residue was filtered on silica gel (eluent: dichloromethane) to yield 1.2 g (95percent) 6-(4-methyl-piperazin-1-yl)-4-o-tolyl-nicotinamide as a light yellow crystalline foam. (0178) MS (ISP): 311 (M+HIntermediate A-3 (582 mg, 1.625 mg) was dissolved in 10 ml of methanesulfonic acid and warmed to 100 ° C for 5 h. The reaction solution was poured into ice water and extracted with methyl tert-butyl ether.After the organic phase was combined, it was washed twice with water, the aqueous layer was combined, and the pH was adjusted to 14 with NaOH, and then extracted with methyl tert-butyl ether. The second organic layer was combined, washed successively with water, saturated brine, anhydrousDry over sodium sulfate.Pressurized distillation, The intermediate A-4 was purified to give a yield of 88percent.Step 3 Step 3: (0177) 1.0 g (4.05 mMol) 6-Chloro-4-o-tolyl-nicotinamide in 9.0 ml 1-methyl-piperazine was heated to 100° C. for 2 hours. The excess N-methyl-piperazine was removed under high vacuum and the residue was filtered on silica gel (eluent: dichloromethane) to yield 1.2 g (95percent) 6-(4-methyl-piperazin-1-yl)-4-o-tolyl-nicotinamide as a light yellow crystalline foam. (0178) MS (ISP): 311 (M+H
Computed Properties
Molecular Weight:310.4
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:310.17936134
Monoisotopic Mass:310.17936134
Topological Polar Surface Area:62.5
Heavy Atom Count:23
Complexity:408
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-(2-Methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinecarboxamide
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