A1COF
Summary
| Name: | 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-5-(hydroxymethyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide |
| Formula: | C17 H14 F2 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 376.314 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-5-(hydroxymethyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | 4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-5-(hydroxymethyl)-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Fc1ccc(CNC(=O)C2=C(N)c3c(nccc3CO)N(O)C2=O)c(F)c1 |
| InChI | InChI | 1.06 | InChI=1S/C17H14F2N4O4/c18-10-2-1-8(11(19)5-10)6-22-16(25)13-14(20)12-9(7-24)3-4-21-15(12)23(27)17(13)26/h1-5,24,27H,6-7,20H2,(H,22,25) |
| InChIKey | InChI | 1.06 | GAJNOXPBHJNHIV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=C(C(=O)NCc2ccc(F)cc2F)C(=O)N(O)c3nccc(CO)c13 |
| SMILES | CACTVS | 3.385 | NC1=C(C(=O)NCc2ccc(F)cc2F)C(=O)N(O)c3nccc(CO)c13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1F)F)CNC(=O)C2=C(c3c(ccnc3N(C2=O)O)CO)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1F)F)CNC(=O)C2=C(c3c(ccnc3N(C2=O)O)CO)N |
