SY6
Summary
| Name: | N-[(6-cyanopyridin-3-yl)methyl]-5-oxidanyl-2-[(3R)-3-oxidanylpyrrolidin-1-yl]-1,7-naphthyridine-6-carboxamide |
| Formula: | C20 H18 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 390.395 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(6-cyanopyridin-3-yl)methyl]-5-oxidanyl-2-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-1,7-naphthyridine-6-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H18N6O3/c21-7-13-2-1-12(8-22-13)9-24-20(29)18-19(28)15-3-4-17(25-16(15)10-23-18)26-6-5-14(27)11-26/h1-4,8,10,14,27-28H,5-6,9,11H2,(H,24,29)/t14-/m1/s1 |
| InChIKey | InChI | 1.06 | ROTOKWNRJPNVEV-CQSZACIVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CCN(C1)c2ccc3c(O)c(ncc3n2)C(=O)NCc4ccc(nc4)C#N |
| SMILES | CACTVS | 3.385 | O[CH]1CCN(C1)c2ccc3c(O)c(ncc3n2)C(=O)NCc4ccc(nc4)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ncc1CNC(=O)c2c(c3ccc(nc3cn2)N4CC[C@H](C4)O)O)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ncc1CNC(=O)c2c(c3ccc(nc3cn2)N4CCC(C4)O)O)C#N |
