MMK
Summary
| Name: | 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid |
| Formula: | C15 H22 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 306.36 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 2-[[[2-[[(E)-2-(dimethylamino)ethenyl]-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1ccnc(c1)CNCC(=O)N(\C=C\N(C)C)CC |
| InChI | InChI | 1.03 | InChI=1S/C15H22N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-9,16H,4,10-11H2,1-3H3,(H,21,22)/b8-7+ |
| InChIKey | InChI | 1.03 | RTKGUAPXWDCFNW-BQYQJAHWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(\C=C\N(C)C)C(=O)CNCc1cc(ccn1)C(O)=O |
| SMILES | CACTVS | 3.385 | CCN(C=CN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCN(/C=C/N(C)C)C(=O)CNCc1cc(ccn1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCN(C=CN(C)C)C(=O)CNCc1cc(ccn1)C(=O)O |
