A1JN1
Summary
| Name: | ~{N}-methyl-5-[(3~{S})-3-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrrolidin-1-yl]pyridine-3-carboxamide |
| Formula: | C26 H25 F3 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 482.498 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-methyl-5-[(3~{S})-3-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrrolidin-1-yl]pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C26H25F3N4O2/c1-16-6-7-17(25(35)32-21-5-3-4-20(12-21)26(27,28)29)11-23(16)18-8-9-33(15-18)22-10-19(13-31-14-22)24(34)30-2/h3-7,10-14,18H,8-9,15H2,1-2H3,(H,30,34)(H,32,35)/t18-/m1/s1 |
| InChIKey | InChI | 1.06 | LWGGNTWUQKSVCY-GOSISDBHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1cncc(c1)N2CC[C@H](C2)c3cc(ccc3C)C(=O)Nc4cccc(c4)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CNC(=O)c1cncc(c1)N2CC[CH](C2)c3cc(ccc3C)C(=O)Nc4cccc(c4)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1[C@@H]2CCN(C2)c3cc(cnc3)C(=O)NC)C(=O)Nc4cccc(c4)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1C2CCN(C2)c3cc(cnc3)C(=O)NC)C(=O)Nc4cccc(c4)C(F)(F)F |
