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    CAS 356068-86-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 356068-86-5, N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxamide, 8ts2jl9q75, 1h-pyrrole-3-carboxamide, n-(2-(diethylamino)ethyl)-5-formyl-2,4-dimethyl-, N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-formyl-1h-pyrrole-3-carboxamide, 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylic acid n-(2-diethylaminoethyl)amide
    Molecular Formula
    C14H23N3O2
    Molecular Weight
    265.35  g/mol
    InChI Key
    BRZYBFNUINXZMJ-UHFFFAOYSA-N
    FDA UNII
    8TS2JL9Q75
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide
    2.1.2 InChI
    InChI=1S/C14H23N3O2/c1-5-17(6-2)8-7-15-14(19)13-10(3)12(9-18)16-11(13)4/h9,16H,5-8H2,1-4H3,(H,15,19)
    2.1.3 InChI Key
    BRZYBFNUINXZMJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=O)C
    2.2 Other Identifiers
    2.2.1 UNII
    8TS2JL9Q75
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 356068-86-5

    2. N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxamide

    3. 8ts2jl9q75

    4. 1h-pyrrole-3-carboxamide, N-(2-(diethylamino)ethyl)-5-formyl-2,4-dimethyl-

    5. N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-formyl-1h-pyrrole-3-carboxamide

    6. 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylic Acid N-(2-diethylaminoethyl)amide

    7. 1h-pyrrole-3-carboxamide, N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-

    8. Sunitinib Impurity C

    9. Unii-8ts2jl9q75

    10. Schembl1044420

    11. Dtxsid40609672

    12. Act01679

    13. Bcp09380

    14. Mfcd12913910

    15. Zinc40456550

    16. Akos015896193

    17. Ac-8962

    18. Cs-w022894

    19. Sb62015

    20. 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylic Acid(2-diethylamino-ethyl)-amide

    21. As-18315

    22. Db-069236

    23. Am20090633

    24. Ft-0651839

    25. 068d865

    26. A822897

    27. Q-101398

    28. 5-formyl-2,4-dimethyl-1 H-pyrrole-3-carboxylic Acid (2-diethylamino-ethyl)-amide

    29. 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxyiic Acid (2-diethylamino-ethyl)-amide

    30. 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylic Acid (2-diethylamino-ethyl)-amide

    31. 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylic Acid (2-diethylamino-ethyl)amide

    32. 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylic Acid (2-diethylaminoethyl) Amide

    33. 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylic Acid (2-diethylaminoethyl)-amide

    34. 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylic Acid (2-diethylaminoethyl)amide

    35. 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylic Acid (2-diethylarnino-ethyl)-amide

    36. 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylic Acid(2-diethylaminoethyl)-amide

    37. 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylic Acid(2-diethylaminoethyl)amide

    38. 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylic Acid, N-(2-diethylaminoethyl)amide

    2.4 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 265.35 g/mol
    Molecular Formula C14H23N3O2
    XLogP31.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count7
    Exact Mass265.17902698 g/mol
    Monoisotopic Mass265.17902698 g/mol
    Topological Polar Surface Area65.2 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity305
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1