N-(pyridin-3-ylmethyl)-N'-[(Z)-pyridin-2-ylmethylideneamino]propanediamide
Formula:C15H15N5O2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
N-(pyridin-3-ylmethyl)-N'-[(Z)-pyridin-2-ylmethylideneamino]propanediamide is a drug-like molecule.
| MolName | N-(pyridin-3-ylmethyl)-N'-[(Z)-pyridin-2-ylmethylideneamino]propanediamide |
| MolecularFormula | C15H15N5O2 |
| Smiles | O=C(CC(N/N=C\c1ncccc1)=O)NCc1cnccc1 |
| InChI | InChI=1S/C15H15N5O2/c21-14(18-10-12-4-3-6-16-9-12)8-15(22)20-19-11-13-5-1-2-7-17-13/h1-7,9,11H,8,10H2,(H,18,21)(H,20,22) |
| InChIK | UNDFPNIAHOUAHE-UHFFFAOYSA-N |
| TotalMolweight | 297.317 |
| Molweight | 297.317 |
| MonoisotopicMass | 297.122575 |
| CLogP | 0.3599 |
| CLogS | -2.045 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 241.24 |
| Relative PSA | 0.34178 |
| PolarSurfaceArea | 96.34 |
| Druglikeness | 2.3841 |
| Mutagenic | low |
| 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 | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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