W0C
Summary
| Name: | N-(pentan-3-yl)-N'-(pyridin-3-yl)urea |
| Formula: | C11 H17 N3 O |
| Formal charge: | 0 |
| Formula weight: | 207.272 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(pentan-3-yl)-N'-(pyridin-3-yl)urea |
| OpenEye OEToolkits | 2.0.7 | 1-pentan-3-yl-3-pyridin-3-yl-urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cccnc1)NC(CC)CC |
| InChI | InChI | 1.06 | InChI=1S/C11H17N3O/c1-3-9(4-2)13-11(15)14-10-6-5-7-12-8-10/h5-9H,3-4H2,1-2H3,(H2,13,14,15) |
| InChIKey | InChI | 1.06 | AVWZCVALHDIHNF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(CC)NC(=O)Nc1cccnc1 |
| SMILES | CACTVS | 3.385 | CCC(CC)NC(=O)Nc1cccnc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(CC)NC(=O)Nc1cccnc1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(CC)NC(=O)Nc1cccnc1 |
