CAS 39627-98-0

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Also known as: 39627-98-0, N-(2,6-dimethylphenyl)picolinamide, N-(2,6-dimethylphenyl)-2-picolinamide, 2',6'-picolinoxylidide, 2-pyridinecarboxamide, n-(2,6-dimethylphenyl)-, N-(2,6-dimethylphenyl)-2-pyridinecarboxamide

Molecular Formula

C₁₄H₁₄N₂O

Molecular Weight

226.27 g/mol

InChI Key

SHZDEASIMRREIQ-UHFFFAOYSA-N

FDA UNII

759503XRFW

1 2D Structure

CAS 39627-98-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(2,6-dimethylphenyl)pyridine-2-carboxamide

2.1.2 InChI

InChI=1S/C14H14N2O/c1-10-6-5-7-11(2)13(10)16-14(17)12-8-3-4-9-15-12/h3-9H,1-2H3,(H,16,17)

2.1.3 InChI Key

SHZDEASIMRREIQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=CC=CC=N2

2.2 Other Identifiers

2.2.1 UNII

759503XRFW

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 39627-98-0

2. N-(2,6-dimethylphenyl)picolinamide

3. N-(2,6-dimethylphenyl)-2-picolinamide

4. 2',6'-picolinoxylidide

5. 2-pyridinecarboxamide, N-(2,6-dimethylphenyl)-

6. N-(2,6-dimethylphenyl)-2-pyridinecarboxamide

7. 759503xrfw

8. N-(2',6'-dimethylphenl)-2-pyridine Carboxamide

9. Unii-759503xrfw

10. Bupivacaine Ep Impurity A

11. Ec 700-273-2

12. Oprea1_054614

13. Dtxsid1068190

14. Schembl10038817

15. Bcp04081

16. Mfcd02931444

17. Stk948095

18. Zinc10214503

19. Akos000501608

20. As-14815

21. N-(2,6- Dimethyl Phenyl)-2-picolinamide

22. Cs-0213343

23. Ft-0673896

24. 627d980

25. A824655

26. An-329/13268180

27. Q27266364

28. Z27073087

29. Bupivacaine Hydrochloride Impurity A [ep Impurity]

30. Mepivacaine Hydrochloride Impurity C [ep Impurity]

31. N-(2,6-dimethylphenyl)pyridine-2-carboxamide;n-(2,6-dimethylphenyl)picolinamide

32. N-(2 Inverted Exclamation Marka,6 Inverted Exclamation Marka-dimethylphenl)-2-pyridine Carboxamide

2.4 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₄N₂O
Molecular Weight	226.27 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	226.110613074 g/mol
Monoisotopic Mass	226.110613074 g/mol
Topological Polar Surface Area	42 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	257
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1