A1BEM
Summary
| Name: | N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide |
| Synonyms: | ~{N}6-(4-methylpyridin-2-yl)-~{N}2-(2-morpholin-4-ylethyl)-3-nitro-pyridine-2,6-diamine |
| Formula: | C13 H20 N4 O |
| Formal charge: | 0 |
| Formula weight: | 248.324 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CN1CCN(CC1)c1ncccc1C(=O)NCC |
| InChI | InChI | 1.06 | InChI=1S/C13H20N4O/c1-3-14-13(18)11-5-4-6-15-12(11)17-9-7-16(2)8-10-17/h4-6H,3,7-10H2,1-2H3,(H,14,18) |
| InChIKey | InChI | 1.06 | KCRYVRIFQJRTDD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)c1cccnc1N2CCN(C)CC2 |
| SMILES | CACTVS | 3.385 | CCNC(=O)c1cccnc1N2CCN(C)CC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCNC(=O)c1cccnc1N2CCN(CC2)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCNC(=O)c1cccnc1N2CCN(CC2)C |
