ZVG
Summary
| Name: | 6-[(5-cyanopyrimidin-2-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(propan-2-yl)amino]pyridine-3-carboxamide |
| Formula: | C19 H24 F N7 O2 |
| Formal charge: | 0 |
| Formula weight: | 401.438 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-[(5-cyanopyrimidin-2-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(propan-2-yl)amino]pyridine-3-carboxamide |
| OpenEye OEToolkits | 2.0.7 | 6-[(5-cyanopyrimidin-2-yl)amino]-~{N}-[(2~{R})-2-fluoranyl-3-methyl-3-oxidanyl-butyl]-4-(propan-2-ylamino)pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C)(O)C(F)CNC(=O)c1cnc(Nc2ncc(cn2)C#N)cc1NC(C)C |
| InChI | InChI | 1.06 | InChI=1S/C19H24FN7O2/c1-11(2)26-14-5-16(27-18-24-7-12(6-21)8-25-18)22-9-13(14)17(28)23-10-15(20)19(3,4)29/h5,7-9,11,15,29H,10H2,1-4H3,(H,23,28)(H2,22,24,25,26,27)/t15-/m1/s1 |
| InChIKey | InChI | 1.06 | UFIWUTUQZFYHKK-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Nc1cc(Nc2ncc(cn2)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O |
| SMILES | CACTVS | 3.385 | CC(C)Nc1cc(Nc2ncc(cn2)C#N)ncc1C(=O)NC[CH](F)C(C)(C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)Nc1cc(ncc1C(=O)NC[C@H](C(C)(C)O)F)Nc2ncc(cn2)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)Nc1cc(ncc1C(=O)NCC(C(C)(C)O)F)Nc2ncc(cn2)C#N |
