Q3U
Summary
| Name: | N-(5-aminopyridin-3-yl)-N'-(3-chlorophenyl)urea |
| Formula: | C12 H11 Cl N4 O |
| Formal charge: | 0 |
| Formula weight: | 262.695 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(5-aminopyridin-3-yl)-N'-(3-chlorophenyl)urea |
| OpenEye OEToolkits | 2.0.7 | 1-(5-azanylpyridin-3-yl)-3-(3-chlorophenyl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cc(N)cnc1)Nc1cccc(Cl)c1 |
| InChI | InChI | 1.06 | InChI=1S/C12H11ClN4O/c13-8-2-1-3-10(4-8)16-12(18)17-11-5-9(14)6-15-7-11/h1-7H,14H2,(H2,16,17,18) |
| InChIKey | InChI | 1.06 | NNDMILIBNSMJII-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cncc(NC(=O)Nc2cccc(Cl)c2)c1 |
| SMILES | CACTVS | 3.385 | Nc1cncc(NC(=O)Nc2cccc(Cl)c2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)NC(=O)Nc2cc(cnc2)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)NC(=O)Nc2cc(cnc2)N |
