AVB
Summary
| Name: | (3~{R})-~{N}-(5-bromanylpyridin-2-yl)piperidine-3-carboxamide |
| Formula: | C11 H14 Br N3 O |
| Formal charge: | 0 |
| Formula weight: | 284.152 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (3~{R})-~{N}-(5-bromanylpyridin-2-yl)piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H14BrN3O/c12-9-3-4-10(14-7-9)15-11(16)8-2-1-5-13-6-8/h3-4,7-8,13H,1-2,5-6H2,(H,14,15,16)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | LURZDHQDKHLCGG-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1ccc(NC(=O)[C@@H]2CCCNC2)nc1 |
| SMILES | CACTVS | 3.385 | Brc1ccc(NC(=O)[CH]2CCCNC2)nc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ncc1Br)NC(=O)[C@@H]2CCCNC2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ncc1Br)NC(=O)C2CCCNC2 |
