JW2
Summary
| Name: | ~{N}'-cyclopentyl-~{N}-(pyridin-2-ylmethyl)ethanediamide |
| Formula: | C13 H17 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 247.293 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}'-cyclopentyl-~{N}-(pyridin-2-ylmethyl)ethanediamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H17N3O2/c17-12(13(18)16-10-5-1-2-6-10)15-9-11-7-3-4-8-14-11/h3-4,7-8,10H,1-2,5-6,9H2,(H,15,17)(H,16,18) |
| InChIKey | InChI | 1.03 | UNZKMRJPKZCKQO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCc1ccccn1)C(=O)NC2CCCC2 |
| SMILES | CACTVS | 3.385 | O=C(NCc1ccccn1)C(=O)NC2CCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)CNC(=O)C(=O)NC2CCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)CNC(=O)C(=O)NC2CCCC2 |
