N-[(Z)-[5-nitro-2,4-di(piperidin-1-yl)phenyl]methylideneamino]pyridine-3-carboxamide
Formula:C23H28N6O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[5-nitro-2,4-di(piperidin-1-yl)phenyl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[5-nitro-2,4-di(piperidin-1-yl)phenyl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C23H28N6O3 |
| Smiles | [O-][N+](c(cc(/C=N\NC(c1cnccc1)=O)c(N1CCCCC1)c1)c1N1CCCCC1)=O |
| InChI | InChI=1S/C23H28N6O3/c30-23(18-8-7-9-24-16-18)26-25-17-19-14-22(29(31)32)21(28-12-5-2-6-13-28)15-20(19)27-10-3-1-4-11-27/h7-9,14-17H,1-6,10-13H2,(H,26,30) |
| InChIK | SULNVVGRTPKGBF-UHFFFAOYSA-N |
| TotalMolweight | 436.514 |
| Molweight | 436.514 |
| MonoisotopicMass | 436.222289 |
| CLogP | 2.9451 |
| CLogS | -5.37 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 340.62 |
| Relative PSA | 0.24808 |
| PolarSurfaceArea | 106.65 |
| Druglikeness | -0.7437 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 13 |
| Symmetricatoms | 4 |
| Amines | 2 |
| Aromatic Amines | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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