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    CAS 284462-37-9

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 284462-37-9, 4-(4-aminophenoxy)-n-methylpyridine-2-carboxamide, 4-(4-aminophenoxy)-n-methyl-2-pyridinecarboxamide, 2-pyridinecarboxamide, 4-(4-aminophenoxy)-n-methyl-, [4-(4-aminophenoxy)(2-pyridyl)]-n-methylcarboxamide, 4-(4-amino-phenoxy)-pyridine-2-carboxylic acid methylamide
    Molecular Formula
    C13H13N3O2
    Molecular Weight
    243.26  g/mol
    InChI Key
    RXZZBPYPZLAEFC-UHFFFAOYSA-N
    FDA UNII
    RE332HKD3U
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide
    2.1.2 InChI
    InChI=1S/C13H13N3O2/c1-15-13(17)12-8-11(6-7-16-12)18-10-4-2-9(14)3-5-10/h2-8H,14H2,1H3,(H,15,17)
    2.1.3 InChI Key
    RXZZBPYPZLAEFC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)N
    2.2 Other Identifiers
    2.2.1 UNII
    RE332HKD3U
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 284462-37-9

    2. 4-(4-aminophenoxy)-n-methylpyridine-2-carboxamide

    3. 4-(4-aminophenoxy)-n-methyl-2-pyridinecarboxamide

    4. 2-pyridinecarboxamide, 4-(4-aminophenoxy)-n-methyl-

    5. [4-(4-aminophenoxy)(2-pyridyl)]-n-methylcarboxamide

    6. 4-(4-amino-phenoxy)-pyridine-2-carboxylic Acid Methylamide

    7. Re332hkd3u

    8. Mfcd08692047

    9. 1178134-86-5

    10. Unii-re332hkd3u

    11. Ec 608-211-5

    12. Schembl177735

    13. Dtxsid10586507

    14. Albb-015319

    15. Bcp04088

    16. Cs-d1788

    17. Zinc8764126

    18. Akos005174935

    19. Ac-8441

    20. Nd-0205

    21. Pb42455

    22. Sb31024

    23. Sy031392

    24. A5396

    25. Am20061802

    26. Ft-0651496

    27. Ft-0661989

    28. 4-(2-(n-methylcarbamoyl)-4-pyridyloxy)aniline

    29. 4-(2-(n-methylcarbamoyl)-4-pyridyloxy) Aniline

    30. 4-(2-(n-methylcarbarnoyl)-4-pyridyloxy)aniline

    31. 462a379

    32. N-methyl-4-(4-aminophenoxy)pyridine-2-carboxamide

    33. Q-101361

    34. 4-(4-amino-phenoxy)-pyridine-2-carboxylicacidmethylamide

    35. 4-(4-aminophenoxy)pyridine-2-carboxylic Acid Methylamide

    36. 4-(4-amino-phenoxy)pyridine-2-carboxylic Acid Methylamide

    37. 2-pyridinecarboxamide, 4-(4-aminophenoxy)-n-methyl-, Oxalate

    38. 4-(4-aminophenoxy)-n-methyl-2-pyridinecarboxamide, Aldrichcpr

    39. 2-pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-n-methyl-, 4-methylbenzenesulfonate

    2.4 Create Date
    2007-08-09
    3 Chemical and Physical Properties
    Molecular Weight 243.26 g/mol
    Molecular Formula C13H13N3O2
    XLogP31.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass243.100776666 g/mol
    Monoisotopic Mass243.100776666 g/mol
    Topological Polar Surface Area77.2 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity277
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1