1-(4-fluorobenzoyl)-N-[(Z)-pyridin-2-ylmethylideneamino]piperidine-4-carboxamide
Formula:C19H19N4O2F
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
1-(4-fluorobenzoyl)-N-[(Z)-pyridin-2-ylmethylideneamino]piperidine-4-carboxamide is a drug-like molecule.
| MolName | 1-(4-fluorobenzoyl)-N-[(Z)-pyridin-2-ylmethylideneamino]piperidine-4-carboxamide |
| MolecularFormula | C19H19N4O2F |
| Smiles | O=C(C(CC1)CCN1C(c(cc1)ccc1F)=O)N/N=C\c1ncccc1 |
| InChI | InChI=1S/C19H19FN4O2/c20-16-6-4-15(5-7-16)19(26)24-11-8-14(9-12-24)18(25)23-22-13-17-3-1-2-10-21-17/h1-7,10,13-14H,8-9,11-12H2,(H,23,25) |
| InChIK | OUELMUDTVVAYRF-UHFFFAOYSA-N |
| TotalMolweight | 354.384 |
| Molweight | 354.384 |
| MonoisotopicMass | 354.149204 |
| CLogP | 2.7017 |
| CLogS | -3.485 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 274.19 |
| Relative PSA | 0.23185 |
| PolarSurfaceArea | 74.66 |
| Druglikeness | 6.2808 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 1-(4-fluorobenzoyl)-N-[(Z)-pyridin-2-ylmethylideneamino]piperidine-4-carboxamide | 2 - 1-(4-fluorobenzoyl)-N-[(Z)-pyridin-2-ylmethylideneamino]piperidine-4-carboxamide
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