ULE
Summary
| Name: | ~{N}4-cyclopropyl-~{N}2-methyl-6-[(1~{S})-1-phenylethyl]pyridine-2,4-dicarboxamide |
| Formula: | C19 H21 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 323.389 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}4-cyclopropyl-~{N}2-methyl-6-[(1~{S})-1-phenylethyl]pyridine-2,4-dicarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H21N3O2/c1-12(13-6-4-3-5-7-13)16-10-14(18(23)21-15-8-9-15)11-17(22-16)19(24)20-2/h3-7,10-12,15H,8-9H2,1-2H3,(H,20,24)(H,21,23)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | VGUKTEKHFHLCSV-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1cc(cc(n1)[C@@H](C)c2ccccc2)C(=O)NC3CC3 |
| SMILES | CACTVS | 3.385 | CNC(=O)c1cc(cc(n1)[CH](C)c2ccccc2)C(=O)NC3CC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1ccccc1)c2cc(cc(n2)C(=O)NC)C(=O)NC3CC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccccc1)c2cc(cc(n2)C(=O)NC)C(=O)NC3CC3 |
