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    CG400549

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    2D Structure
    Also known as: 934628-27-0, 1-(3-amino-2-methyl-benzyl)-4-(2-thiophen-2-yl-ethoxy)-2-pyridone, Cg-400549, Nilofabicin, Cg400549, Cg 400549
    Molecular Formula
    C19H20N2O2S
    Molecular Weight
    340.4  g/mol
    InChI Key
    YCLREGRRHGLOAK-UHFFFAOYSA-N
    FDA UNII
    4X6T64D64X
    CG400549 has been used in trials studying the treatment of Skin Infection.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[(3-amino-2-methylphenyl)methyl]-4-(2-thiophen-2-ylethoxy)pyridin-2-one
    2.1.2 InChI
    InChI=1S/C19H20N2O2S/c1-14-15(4-2-6-18(14)20)13-21-9-7-16(12-19(21)22)23-10-8-17-5-3-11-24-17/h2-7,9,11-12H,8,10,13,20H2,1H3
    2.1.3 InChI Key
    YCLREGRRHGLOAK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=CC=C1N)CN2C=CC(=CC2=O)OCCC3=CC=CS3
    2.2 Other Identifiers
    2.2.1 UNII
    4X6T64D64X
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Cg 400549

    2. Cg-400549

    3. Cg400549

    2.3.2 Depositor-Supplied Synonyms

    1. 934628-27-0

    2. 1-(3-amino-2-methyl-benzyl)-4-(2-thiophen-2-yl-ethoxy)-2-pyridone

    3. Cg-400549

    4. Nilofabicin

    5. Cg400549

    6. Cg 400549

    7. 1-[(3-amino-2-methylphenyl)methyl]-4-(2-thiophen-2-ylethoxy)pyridin-2-one

    8. 4x6t64d64x

    9. 1-(3-amino-2-methylbenzyl)-4-[2-(thiophen-2-yl)ethoxy]pyridin-2(1h)-one

    10. 2(1h)-pyridinone, 1-((3-amino-2-methylphenyl)methyl)-4-(2-(2-thienyl)ethoxy)-

    11. Unii-4x6t64d64x

    12. Pt6

    13. Nilofabicin [inn]

    14. Chembl488937

    15. Schembl2177308

    16. Gtpl10984

    17. Dtxsid00239434

    18. Bdbm231620

    19. Bcp15467

    20. Mfcd09991584

    21. Zinc16696900

    22. Akos015842354

    23. Db12347

    24. As-35976

    25. Cg-400459

    26. Db-012662

    27. Hy-111071

    28. Cs-0034149

    29. Ft-0699236

    30. Q-102482

    31. Q27260632

    32. 1-(3-amino-2-methylbenzyl)-4-(2-thiophen-2-ylmethoxy)-2-pyridone

    33. 1-((3-amino-2-methylphenyl)methyl)-4-(2-(2-thienyl)ethoxy)-2(1h)-pyridinone

    34. 2(1h)-pyridinone,1-[(3-amino-2-methylphenyl)methyl]-4-[2-(2-thienyl)ethoxy]-

    2.4 Create Date
    2006-11-06
    3 Chemical and Physical Properties
    Molecular Weight 340.4 g/mol
    Molecular Formula C19H20N2O2S
    XLogP32.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count6
    Exact Mass340.12454906 g/mol
    Monoisotopic Mass340.12454906 g/mol
    Topological Polar Surface Area83.8 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity506
    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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