AJO
Summary
| Name: | 2-[cyanomethyl(methyl)amino]-N-(6-methylpyridin-2-yl)ethanamide |
| Formula: | C11 H14 N4 O |
| Formal charge: | 0 |
| Formula weight: | 218.255 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[cyanomethyl(methyl)amino]-~{N}-(6-methylpyridin-2-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H14N4O/c1-9-4-3-5-10(13-9)14-11(16)8-15(2)7-6-12/h3-5H,7-8H2,1-2H3,(H,13,14,16) |
| InChIKey | InChI | 1.06 | HQGFIXPFALUWCM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CC#N)CC(=O)Nc1cccc(C)n1 |
| SMILES | CACTVS | 3.385 | CN(CC#N)CC(=O)Nc1cccc(C)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc(n1)NC(=O)CN(C)CC#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc(n1)NC(=O)CN(C)CC#N |
