SZX
Summary
| Name: | (2R)-N-(pyridin-2-yl)-1,4-dioxane-2-carboxamide |
| Formula: | C10 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 208.214 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-N-(pyridin-2-yl)-1,4-dioxane-2-carboxamide |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-~{N}-pyridin-2-yl-1,4-dioxane-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1ccccn1)C1COCCO1 |
| InChI | InChI | 1.06 | InChI=1S/C10H12N2O3/c13-10(8-7-14-5-6-15-8)12-9-3-1-2-4-11-9/h1-4,8H,5-7H2,(H,11,12,13)/t8-/m1/s1 |
| InChIKey | InChI | 1.06 | MYQOETKNJQIOKN-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1ccccn1)[C@H]2COCCO2 |
| SMILES | CACTVS | 3.385 | O=C(Nc1ccccn1)[CH]2COCCO2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)NC(=O)[C@H]2COCCO2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)NC(=O)C2COCCO2 |
