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    CAS 1643330-62-4

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    CAS 1643330-62-4
    Also known as: 1643330-62-4, 5-chloro-n-(4-(5-morpholino-6-oxo-3,6-dihydropyridin-1(2h)-yl)phenyl)pentanamide, V9yk56w8pq, 5-chloro-n-(4-(5,6-dihydro-3-(4-morpholinyl)-2-oxo-1(2h)-pyridinyl)phenyl)pentanamide, Pentanamide, 5-chloro-n-(4-(5,6-dihydro-3-(4-morpholinyl)-2-oxo-1(2h)-pyridinyl)phenyl)-, Unii-v9yk56w8pq
    Molecular Formula
    C20H26ClN3O3
    Molecular Weight
    391.9  g/mol
    InChI Key
    YWWKAVVYOWDKHS-UHFFFAOYSA-N
    FDA UNII
    V9YK56W8PQ
    1 2D Structure

    CAS 1643330-62-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-chloro-N-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]pentanamide
    2.1.2 InChI
    InChI=1S/C20H26ClN3O3/c21-10-2-1-5-19(25)22-16-6-8-17(9-7-16)24-11-3-4-18(20(24)26)23-12-14-27-15-13-23/h4,6-9H,1-3,5,10-15H2,(H,22,25)
    2.1.3 InChI Key
    YWWKAVVYOWDKHS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN(C(=O)C(=C1)N2CCOCC2)C3=CC=C(C=C3)NC(=O)CCCCCl
    2.2 Other Identifiers
    2.2.1 UNII
    V9YK56W8PQ
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1643330-62-4

    2. 5-chloro-n-(4-(5-morpholino-6-oxo-3,6-dihydropyridin-1(2h)-yl)phenyl)pentanamide

    3. V9yk56w8pq

    4. 5-chloro-n-(4-(5,6-dihydro-3-(4-morpholinyl)-2-oxo-1(2h)-pyridinyl)phenyl)pentanamide

    5. Pentanamide, 5-chloro-n-(4-(5,6-dihydro-3-(4-morpholinyl)-2-oxo-1(2h)-pyridinyl)phenyl)-

    6. Unii-v9yk56w8pq

    7. Schembl16730279

    8. Cs-m2421

    9. F19392

    2.4 Create Date
    2014-10-10
    3 Chemical and Physical Properties
    Molecular Weight 391.9 g/mol
    Molecular Formula C20H26ClN3O3
    XLogP32.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count7
    Exact Mass391.1662694 g/mol
    Monoisotopic Mass391.1662694 g/mol
    Topological Polar Surface Area61.9 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity541
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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