N-cyclohexyl-N'-[(Z)-pyridin-4-ylmethylideneamino]pentanediamide
Formula:C17H24N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-cyclohexyl-N'-[(Z)-pyridin-4-ylmethylideneamino]pentanediamide is a drug-like molecule.
| MolName | N-cyclohexyl-N'-[(Z)-pyridin-4-ylmethylideneamino]pentanediamide |
| MolecularFormula | C17H24N4O2 |
| Smiles | O=C(CCCC(N/N=C\c1ccncc1)=O)NC1CCCCC1 |
| InChI | InChI=1S/C17H24N4O2/c22-16(20-15-5-2-1-3-6-15)7-4-8-17(23)21-19-13-14-9-11-18-12-10-14/h9-13,15H,1-8H2,(H,20,22)(H,21,23) |
| InChIK | GTPAQCWVDDUSPX-UHFFFAOYSA-N |
| TotalMolweight | 316.404 |
| Molweight | 316.404 |
| MonoisotopicMass | 316.189926 |
| CLogP | 2.3532 |
| CLogS | -3.607 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 264.28 |
| Relative PSA | 0.27047 |
| PolarSurfaceArea | 83.45 |
| Druglikeness | -2.0404 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-cyclohexyl-N'-[(Z)-pyridin-4-ylmethylideneamino]pentanediamide | 2 - N-cyclohexyl-N'-[(Z)-pyridin-4-ylmethylideneamino]pentanediamide
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