6EO
Summary
| Name: | 3-{[(4-chlorophenyl)acetyl]amino}pyridine-4-carboxylic acid |
| Formula: | C14 H11 Cl N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 290.702 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-{[(4-chlorophenyl)acetyl]amino}pyridine-4-carboxylic acid |
| OpenEye OEToolkits | 2.0.4 | 3-[2-(4-chlorophenyl)ethanoylamino]pyridine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(ccc(c1)Cl)CC(Nc2cnccc2C(=O)O)=O |
| InChI | InChI | 1.03 | InChI=1S/C14H11ClN2O3/c15-10-3-1-9(2-4-10)7-13(18)17-12-8-16-6-5-11(12)14(19)20/h1-6,8H,7H2,(H,17,18)(H,19,20) |
| InChIKey | InChI | 1.03 | BGMIWCIVXVXHDU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccncc1NC(=O)Cc2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccncc1NC(=O)Cc2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1CC(=O)Nc2cnccc2C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1CC(=O)Nc2cnccc2C(=O)O)Cl |
