H54
Summary
| Name: | 2-(3-methylphenyl)-N-(pyridin-3-yl)acetamide |
| Formula: | C14 H14 N2 O |
| Formal charge: | 0 |
| Formula weight: | 226.274 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(3-methylphenyl)-N-(pyridin-3-yl)acetamide |
| OpenEye OEToolkits | 2.0.6 | 2-(3-methylphenyl)-~{N}-pyridin-3-yl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(C(Cc1cccc(C)c1)=O)c2cccnc2 |
| InChI | InChI | 1.03 | InChI=1S/C14H14N2O/c1-11-4-2-5-12(8-11)9-14(17)16-13-6-3-7-15-10-13/h2-8,10H,9H2,1H3,(H,16,17) |
| InChIKey | InChI | 1.03 | AHPALPGTXJXWGY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(CC(=O)Nc2cccnc2)c1 |
| SMILES | CACTVS | 3.385 | Cc1cccc(CC(=O)Nc2cccnc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cccc(c1)CC(=O)Nc2cccnc2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cccc(c1)CC(=O)Nc2cccnc2 |
