1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
Formula:C19H16N4OCl3F3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide is not a drug-like molecule.
| MolName | 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide |
| MolecularFormula | C19H16N4OCl3F3 |
| Smiles | O=C(C(CC1)CCN1c(ncc(C(F)(F)F)c1)c1Cl)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C19H16Cl3F3N4O/c20-14-2-1-12(15(21)8-14)9-27-28-18(30)11-3-5-29(6-4-11)17-16(22)7-13(10-26-17)19(23,24)25/h1-2,7-11H,3-6H2,(H,28,30) |
| InChIK | VNUJICSLNDISCF-UHFFFAOYSA-N |
| TotalMolweight | 479.716 |
| Molweight | 479.716 |
| MonoisotopicMass | 478.034176 |
| CLogP | 5.5593 |
| CLogS | -7.051 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 325.81 |
| Relative PSA | 0.15509 |
| PolarSurfaceArea | 57.59 |
| Druglikeness | 1.0838 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide | 2 - 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
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