N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]pyridine-2-carboxamide
Formula:C18H19N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]pyridine-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]pyridine-2-carboxamide |
| MolecularFormula | C18H19N5O3 |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(c2ncccc2)=O)c1N1CCCCC1)=O |
| InChI | InChI=1S/C18H19N5O3/c24-18(16-6-2-3-9-19-16)21-20-13-14-12-15(23(25)26)7-8-17(14)22-10-4-1-5-11-22/h2-3,6-9,12-13H,1,4-5,10-11H2,(H,21,24) |
| InChIK | ICEACCWKEKUGJX-UHFFFAOYSA-N |
| TotalMolweight | 353.381 |
| Molweight | 353.381 |
| MonoisotopicMass | 353.14879 |
| CLogP | 2.1661 |
| CLogS | -4.402 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 275.02 |
| Relative PSA | 0.29434 |
| PolarSurfaceArea | 103.41 |
| Druglikeness | -0.7437 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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