A1I86
Summary
| Name: | 5-chloranyl-2-(cyclopropylamino)-~{N}-[2-(1-phenylpyrazol-3-yl)ethyl]pyridine-4-carboxamide |
| Formula: | C20 H20 Cl N5 O |
| Formal charge: | 0 |
| Formula weight: | 381.859 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-chloranyl-2-(cyclopropylamino)-~{N}-[2-(1-phenylpyrazol-3-yl)ethyl]pyridine-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H20ClN5O/c21-18-13-23-19(24-14-6-7-14)12-17(18)20(27)22-10-8-15-9-11-26(25-15)16-4-2-1-3-5-16/h1-5,9,11-14H,6-8,10H2,(H,22,27)(H,23,24) |
| InChIKey | InChI | 1.06 | LNUSJKFHICQGGL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cnc(NC2CC2)cc1C(=O)NCCc3ccn(n3)c4ccccc4 |
| SMILES | CACTVS | 3.385 | Clc1cnc(NC2CC2)cc1C(=O)NCCc3ccn(n3)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)n2ccc(n2)CCNC(=O)c3cc(ncc3Cl)NC4CC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)n2ccc(n2)CCNC(=O)c3cc(ncc3Cl)NC4CC4 |
