Cas no 305371-31-7 (1,7-Naphthyridine-3-carbonitrile, 6-fluoro-4-[(4-phenoxyphenyl)amino]-)

1,7-Naphthyridine-3-carbonitrile, 6-fluoro-4-[(4-phenoxyphenyl)amino]- structure
305371-31-7 structure
Product Name:1,7-Naphthyridine-3-carbonitrile, 6-fluoro-4-[(4-phenoxyphenyl)amino]-
CAS No:305371-31-7
MF:C21H13FN4O
MW:356.35252737999
CID:1443521
PubChem ID:18548956
Update Time:2025-04-20

1,7-Naphthyridine-3-carbonitrile, 6-fluoro-4-[(4-phenoxyphenyl)amino]- Chemical and Physical Properties

Names and Identifiers

    • 1,7-Naphthyridine-3-carbonitrile, 6-fluoro-4-[(4-phenoxyphenyl)amino]-
    • 6-fluoro-4-(4-phenoxyanilino)-1,7-naphthyridine-3-carbonitrile
    • 6-FLUORO-4-[(4-PHENOXYPHENYL)AMINO]-1,7-NAPHTHYRIDINE-3-CARBONITRILE
    • HDOSMKFDLUTPGB-UHFFFAOYSA-N
    • 6-fluoro-4-(4-phenoxy-phenylamino)-[1.7]naphthyridine-3-carbonitrile
    • SCHEMBL4775969
    • 6-Fluoro-4-((4-phenoxyphenyl)amino)-1,7-naphthyridine-3-carbonitrile
    • 6-fluoro-4-(4-phenoxy-phenylamino)-[1,7]naphthyridine-3-carbonitrile
    • 305371-31-7
    • DTXSID00595022
    • Inchi: 1S/C21H13FN4O/c22-20-10-18-19(13-25-20)24-12-14(11-23)21(18)26-15-6-8-17(9-7-15)27-16-4-2-1-3-5-16/h1-10,12-13H,(H,24,26)
    • InChI Key: HDOSMKFDLUTPGB-UHFFFAOYSA-N
    • SMILES: FC1=CC2C(C=N1)=NC=C(C#N)C=2NC1C=CC(=CC=1)OC1C=CC=CC=1

Computed Properties

  • Exact Mass: 356.10749
  • Monoisotopic Mass: 356.10733921g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 4
  • Complexity: 524
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.9
  • Topological Polar Surface Area: 70.8?2

Experimental Properties

  • PSA: 70.83
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