N-phenyl-N'-[(Z)-pyridin-3-ylmethylideneamino]butanediamide
Formula:C16H16N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-phenyl-N'-[(Z)-pyridin-3-ylmethylideneamino]butanediamide is a drug-like molecule.
| MolName | N-phenyl-N'-[(Z)-pyridin-3-ylmethylideneamino]butanediamide |
| MolecularFormula | C16H16N4O2 |
| Smiles | O=C(CCC(N/N=C\c1cnccc1)=O)Nc1ccccc1 |
| InChI | InChI=1S/C16H16N4O2/c21-15(19-14-6-2-1-3-7-14)8-9-16(22)20-18-12-13-5-4-10-17-11-13/h1-7,10-12H,8-9H2,(H,19,21)(H,20,22) |
| InChIK | VBPDNMVUZSLZHQ-UHFFFAOYSA-N |
| TotalMolweight | 296.329 |
| Molweight | 296.329 |
| MonoisotopicMass | 296.127326 |
| CLogP | 2.0518 |
| CLogS | -3.27 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 242.48 |
| Relative PSA | 0.29479 |
| PolarSurfaceArea | 83.45 |
| Druglikeness | 3.585 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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