A1BFG
Summary
| Name: | N-{[2-(dimethylamino)pyridin-4-yl]methyl}acetamide |
| Formula: | C10 H15 N3 O |
| Formal charge: | 0 |
| Formula weight: | 193.246 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-{[2-(dimethylamino)pyridin-4-yl]methyl}acetamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[[2-(dimethylamino)pyridin-4-yl]methyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CN(C)c1cc(CNC(C)=O)ccn1 |
| InChI | InChI | 1.06 | InChI=1S/C10H15N3O/c1-8(14)12-7-9-4-5-11-10(6-9)13(2)3/h4-6H,7H2,1-3H3,(H,12,14) |
| InChIKey | InChI | 1.06 | BKIVWGJUNJZCKF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)c1cc(CNC(C)=O)ccn1 |
| SMILES | CACTVS | 3.385 | CN(C)c1cc(CNC(C)=O)ccn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(=O)NCc1ccnc(c1)N(C)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=O)NCc1ccnc(c1)N(C)C |
