D9Q
Summary
| Name: | 1-methyl-6-oxidanylidene-~{N}-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide |
| Formula: | C13 H19 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 249.309 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-methyl-6-oxidanylidene-~{N}-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H19N3O2/c1-15-10-11(4-5-12(15)17)13(18)14-6-9-16-7-2-3-8-16/h4-5,10H,2-3,6-9H2,1H3,(H,14,18) |
| InChIKey | InChI | 1.03 | BHVHUAARAHRDNS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C=C(C=CC1=O)C(=O)NCCN2CCCC2 |
| SMILES | CACTVS | 3.385 | CN1C=C(C=CC1=O)C(=O)NCCN2CCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1C=C(C=CC1=O)C(=O)NCCN2CCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1C=C(C=CC1=O)C(=O)NCCN2CCCC2 |
