YJV
Summary
| Name: | N-(3-chloropyridin-4-yl)-2-(5-methyl-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)acetamide |
| Formula: | C15 H13 Cl N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 316.742 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(3-chloropyridin-4-yl)-2-(5-methyl-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(3-chloranylpyridin-4-yl)-2-(5-methyl-4-oxidanylidene-pyrrolo[3,2-c]pyridin-1-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cnccc1NC(=O)Cn1ccc2c1C=CN(C)C2=O |
| InChI | InChI | 1.03 | InChI=1S/C15H13ClN4O2/c1-19-6-4-13-10(15(19)22)3-7-20(13)9-14(21)18-12-2-5-17-8-11(12)16/h2-8H,9H2,1H3,(H,17,18,21) |
| InChIKey | InChI | 1.03 | HIQOPYVKOWIEFP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C=Cc2n(CC(=O)Nc3ccncc3Cl)ccc2C1=O |
| SMILES | CACTVS | 3.385 | CN1C=Cc2n(CC(=O)Nc3ccncc3Cl)ccc2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C=Cc2c(ccn2CC(=O)Nc3ccncc3Cl)C1=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1C=Cc2c(ccn2CC(=O)Nc3ccncc3Cl)C1=O |
