1-[(4-chlorophenyl)methyl]-N-[(Z)-pyridin-2-ylmethylideneamino]piperidine-4-carboxamide
Formula:C19H21N4OCl
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
1-[(4-chlorophenyl)methyl]-N-[(Z)-pyridin-2-ylmethylideneamino]piperidine-4-carboxamide is a drug-like molecule.
| MolName | 1-[(4-chlorophenyl)methyl]-N-[(Z)-pyridin-2-ylmethylideneamino]piperidine-4-carboxamide |
| MolecularFormula | C19H21N4OCl |
| Smiles | O=C(C1CCN(Cc(cc2)ccc2Cl)CC1)N/N=C\c1ncccc1 |
| InChI | InChI=1S/C19H21ClN4O/c20-17-6-4-15(5-7-17)14-24-11-8-16(9-12-24)19(25)23-22-13-18-3-1-2-10-21-18/h1-7,10,13,16H,8-9,11-12,14H2,(H,23,25) |
| InChIK | ASXALGWQZKRJGV-UHFFFAOYSA-N |
| TotalMolweight | 356.856 |
| Molweight | 356.856 |
| MonoisotopicMass | 356.140388 |
| CLogP | 3.1245 |
| CLogS | -3.778 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 279.27 |
| Relative PSA | 0.18094 |
| PolarSurfaceArea | 57.59 |
| Druglikeness | 9.2736 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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