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Also known as: 342417-01-0, 4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide, 3-pyridinecarboxamide, 4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-, 6-(4-methylpiperazin-1-yl)-4-o-tolylnicotinamide, Mfcd11113419, 6-(4-methylpiperazin-1-yl)-4-(2-methylphenyl)nicotinamide
Molecular Formula
C18H22N4O
Molecular Weight
310.4  g/mol
InChI Key
UQTDFKWGXOVHFZ-UHFFFAOYSA-N

CAS 342417-01-0
1 2D Structure

CAS 342417-01-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
2.1.2 InChI
InChI=1S/C18H22N4O/c1-13-5-3-4-6-14(13)15-11-17(20-12-16(15)18(19)23)22-9-7-21(2)8-10-22/h3-6,11-12H,7-10H2,1-2H3,(H2,19,23)
2.1.3 InChI Key
UQTDFKWGXOVHFZ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC=CC=C1C2=CC(=NC=C2C(=O)N)N3CCN(CC3)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 342417-01-0

2. 4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide

3. 3-pyridinecarboxamide, 4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-

4. 6-(4-methylpiperazin-1-yl)-4-o-tolylnicotinamide

5. Mfcd11113419

6. 6-(4-methylpiperazin-1-yl)-4-(2-methylphenyl)nicotinamide

7. 6-(4-methyl-1-piperazinyl)-4-(o-tolyl)nicotinamide

8. Netupitant Its-1

9. Schembl1399329

10. Dtxsid30467400

11. 4-(2-methylphenyl)-6-(4-methylpiperazinyl)-3-pyridinecarboxamide

12. Amy23768

13. Bcp09942

14. Akos027252843

15. Zinc116072685

16. Ac-29246

17. Da-22792

18. Ds-10287

19. Sy060994

20. Cs-0028242

21. Ft-0760090

22. A875060

23. 6-(4-methylpiperazin-1-yl)-4-o-tolyl-nicotinamide

24. 6-(4-methyl-piperazin-1-yl)-4-o-tolyl-nicotinamide

25. 4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)nicotinamide

26. 4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinecarboxamide

27. 4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinecarboxamide,

28. 3-pyridin; 4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)nicotinamide; 6-(4-methylpiperazin-1-yl)-4-(o-tolyl)nicotinamide; 3-pyridinecarboxamide, 4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-;6-(4-methylpiperazin-1-yl)-4-(o-tolyl)nicotinamide

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 310.4 g/mol
Molecular Formula C18H22N4O
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass310.17936134 g/mol
Monoisotopic Mass310.17936134 g/mol
Topological Polar Surface Area62.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity408
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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