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    CAS 39627-98-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    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

    2D Structure

    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 Weight 226.27 g/mol
    Molecular Formula C14H14N2O
    XLogP32.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass226.110613074 g/mol
    Monoisotopic Mass226.110613074 g/mol
    Topological Polar Surface Area42 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity257
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1