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    BUILDING BLOCK

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    Chemistry

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    Also known as: 284462-78-8, 4-(3-aminophenoxy)-n-methylpicolinamide, 4-(3-amino-phenoxy)-pyridine-2-carboxylic acid methylamide, Schembl177723, Dtxsid60635175, Zinc8764117
    Molecular Formula
    C13H13N3O2
    Molecular Weight
    243.26  g/mol
    InChI Key
    DRPIVJDJDIQRFK-UHFFFAOYSA-N
    CAS 284462-78-8
    1 2D Structure

    CAS 284462-78-8

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

    1. 284462-78-8

    2. 4-(3-aminophenoxy)-n-methylpicolinamide

    3. 4-(3-amino-phenoxy)-pyridine-2-carboxylic Acid Methylamide

    4. Schembl177723

    5. Dtxsid60635175

    6. Zinc8764117

    7. Akos005840556

    8. 4-(3-aminophenoxy)-n-methyl-2-pyridinecarboxamide

    9. A1-02566

    10. 4-(3-aminophenoxy)pyridine-2-carboxylic Acid Methylamide

    11. Z2186895224

    2.3 Create Date
    2007-12-12
    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
    Complexity285
    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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