A1BGY
Summary
| Name: | 5-cyclopropyl-1,2-dimethyl-N-(3-methylpyridin-4-yl)-1H-pyrrole-3-carboxamide |
| Formula: | C16 H19 N3 O |
| Formal charge: | 0 |
| Formula weight: | 269.342 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 5-cyclopropyl-1,2-dimethyl-N-(3-methylpyridin-4-yl)-1H-pyrrole-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | 5-cyclopropyl-1,2-dimethyl-~{N}-(3-methylpyridin-4-yl)pyrrole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1ccncc1C)c1cc(C2CC2)n(C)c1C |
| InChI | InChI | 1.06 | InChI=1S/C16H19N3O/c1-10-9-17-7-6-14(10)18-16(20)13-8-15(12-4-5-12)19(3)11(13)2/h6-9,12H,4-5H2,1-3H3,(H,17,18,20) |
| InChIKey | InChI | 1.06 | SQWXQKIKIAPPEQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1c(C)c(cc1C2CC2)C(=O)Nc3ccncc3C |
| SMILES | CACTVS | 3.385 | Cn1c(C)c(cc1C2CC2)C(=O)Nc3ccncc3C |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cnccc1NC(=O)c2cc(n(c2C)C)C3CC3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cnccc1NC(=O)c2cc(n(c2C)C)C3CC3 |
