6EN
Summary
| Name: | 3-[(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid |
| Formula: | C14 H12 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 268.271 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid |
| OpenEye OEToolkits | 2.0.4 | 3-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c13ncccc1c(Nc2c(C(O)=O)ccnc2)cn3C |
| InChI | InChI | 1.03 | InChI=1S/C14H12N4O2/c1-18-8-12(9-3-2-5-16-13(9)18)17-11-7-15-6-4-10(11)14(19)20/h2-8,17H,1H3,(H,19,20) |
| InChIKey | InChI | 1.03 | RBGNHCYGFBRIRO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(Nc2cnccc2C(O)=O)c3cccnc13 |
| SMILES | CACTVS | 3.385 | Cn1cc(Nc2cnccc2C(O)=O)c3cccnc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cn1cc(c2c1nccc2)Nc3cnccc3C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cn1cc(c2c1nccc2)Nc3cnccc3C(=O)O |
