1-[(4-bromophenyl)methyl]-N-[(Z)-pyridin-3-ylmethylideneamino]piperidine-4-carboxamide
Formula:C19H21N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(4-bromophenyl)methyl]-N-[(Z)-pyridin-3-ylmethylideneamino]piperidine-4-carboxamide is a drug-like molecule.
| MolName | 1-[(4-bromophenyl)methyl]-N-[(Z)-pyridin-3-ylmethylideneamino]piperidine-4-carboxamide |
| MolecularFormula | C19H21N4OBr |
| Smiles | O=C(C1CCN(Cc(cc2)ccc2Br)CC1)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C19H21BrN4O/c20-18-5-3-15(4-6-18)14-24-10-7-17(8-11-24)19(25)23-22-13-16-2-1-9-21-12-16/h1-6,9,12-13,17H,7-8,10-11,14H2,(H,23,25) |
| InChIK | RCQRCRNWKSORNA-UHFFFAOYSA-N |
| TotalMolweight | 401.307 |
| Molweight | 401.307 |
| MonoisotopicMass | 400.089872 |
| CLogP | 3.1897 |
| CLogS | -3.852 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 282.48 |
| Relative PSA | 0.17888 |
| PolarSurfaceArea | 57.59 |
| Druglikeness | 7.4805 |
| Mutagenic | none |
| 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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1 - 1-[(4-bromophenyl)methyl]-N-[(Z)-pyridin-3-ylmethylideneamino]piperidine-4-carboxamide | 2 - 1-[(4-bromophenyl)methyl]-N-[(Z)-pyridin-3-ylmethylideneamino]piperidine-4-carboxamide
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