N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]pyridine-4-carboxamide
Formula:C18H20N4O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C18H20N4O |
| Smiles | O=C(c1ccncc1)N/N=C\c(cc1)ccc1N1CCCCC1 |
| InChI | InChI=1S/C18H20N4O/c23-18(16-8-10-19-11-9-16)21-20-14-15-4-6-17(7-5-15)22-12-2-1-3-13-22/h4-11,14H,1-3,12-13H2,(H,21,23) |
| InChIK | KZSJNJVZUOWOLX-UHFFFAOYSA-N |
| TotalMolweight | 308.384 |
| Molweight | 308.384 |
| MonoisotopicMass | 308.163711 |
| CLogP | 3.0337 |
| CLogS | -3.918 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 251.35 |
| Relative PSA | 0.20103 |
| PolarSurfaceArea | 57.59 |
| Druglikeness | 4.4118 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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