N-[(Z)-benzylideneamino]-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide
Formula:C19H18N4OClF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-benzylideneamino]-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide |
| MolecularFormula | C19H18N4OClF3 |
| Smiles | O=C(C(CC1)CCN1c(ncc(C(F)(F)F)c1)c1Cl)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C19H18ClF3N4O/c20-16-10-15(19(21,22)23)12-24-17(16)27-8-6-14(7-9-27)18(28)26-25-11-13-4-2-1-3-5-13/h1-5,10-12,14H,6-9H2,(H,26,28) |
| InChIK | QBRBMHMCPYSTAM-UHFFFAOYSA-N |
| TotalMolweight | 410.826 |
| Molweight | 410.826 |
| MonoisotopicMass | 410.112122 |
| CLogP | 4.3473 |
| CLogS | -5.579 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 294.97 |
| Relative PSA | 0.17131 |
| 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 | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-benzylideneamino]-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide | 2 - N-[(Z)-benzylideneamino]-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide
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