L2I
Summary
| Name: | (2S)-4-(methylamino)-2-phenyl-N-(pyridin-3-yl)butanamide |
| Formula: | C16 H19 N3 O |
| Formal charge: | 0 |
| Formula weight: | 269.342 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-4-(methylamino)-2-phenyl-N-(pyridin-3-yl)butanamide |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-4-(methylamino)-2-phenyl-~{N}-pyridin-3-yl-butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cccnc1)C(CCNC)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C16H19N3O/c1-17-11-9-15(13-6-3-2-4-7-13)16(20)19-14-8-5-10-18-12-14/h2-8,10,12,15,17H,9,11H2,1H3,(H,19,20)/t15-/m0/s1 |
| InChIKey | InChI | 1.06 | AMGHFKIRDXLNJU-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCC[C@H](C(=O)Nc1cccnc1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CNCC[CH](C(=O)Nc1cccnc1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNCC[C@@H](c1ccccc1)C(=O)Nc2cccnc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNCCC(c1ccccc1)C(=O)Nc2cccnc2 |
