X76
Summary
| Name: | 2-[(pyridin-3-ylmethyl)amino]benzamide |
| Formula: | C13 H13 N3 O |
| Formal charge: | 0 |
| Formula weight: | 227.262 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(pyridin-3-ylmethyl)amino]benzamide |
| OpenEye OEToolkits | 1.7.0 | 2-(pyridin-3-ylmethylamino)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N)c2c(NCc1cccnc1)cccc2 |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=O)c1ccccc1NCc2cccnc2 |
| SMILES | CACTVS | 3.370 | NC(=O)c1ccccc1NCc2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(c(c1)C(=O)N)NCc2cccnc2 |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(c(c1)C(=O)N)NCc2cccnc2 |
| InChI | InChI | 1.03 | InChI=1S/C13H13N3O/c14-13(17)11-5-1-2-6-12(11)16-9-10-4-3-7-15-8-10/h1-8,16H,9H2,(H2,14,17) |
| InChIKey | InChI | 1.03 | DWAAUQSYDGHPKE-UHFFFAOYSA-N |
