1-(4-fluorobenzoyl)-N-[(Z)-pyridin-3-ylmethylideneamino]piperidine-4-carboxamide
Formula:C19H19N4O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-fluorobenzoyl)-N-[(Z)-pyridin-3-ylmethylideneamino]piperidine-4-carboxamide is a drug-like molecule.
| MolName | 1-(4-fluorobenzoyl)-N-[(Z)-pyridin-3-ylmethylideneamino]piperidine-4-carboxamide |
| MolecularFormula | C19H19N4O2F |
| Smiles | O=C(C(CC1)CCN1C(c(cc1)ccc1F)=O)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C19H19FN4O2/c20-17-5-3-16(4-6-17)19(26)24-10-7-15(8-11-24)18(25)23-22-13-14-2-1-9-21-12-14/h1-6,9,12-13,15H,7-8,10-11H2,(H,23,25) |
| InChIK | QZNNRRKVSIENTH-UHFFFAOYSA-N |
| TotalMolweight | 354.384 |
| Molweight | 354.384 |
| MonoisotopicMass | 354.149204 |
| CLogP | 2.6477 |
| CLogS | -3.461 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 274.19 |
| Relative PSA | 0.23185 |
| PolarSurfaceArea | 74.66 |
| Druglikeness | 6.2808 |
| Mutagenic | none |
| 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-3-ylmethylideneamino]piperidine-4-carboxamide | 2 - 1-(4-fluorobenzoyl)-N-[(Z)-pyridin-3-ylmethylideneamino]piperidine-4-carboxamide
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