N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide
Formula:C16H14N4O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide is a drug-like molecule.
| MolName | N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide |
| MolecularFormula | C16H14N4O2Cl2 |
| Smiles | O=C(CC(N/N=C\c(c(Cl)ccc1)c1Cl)=O)NCc1cnccc1 |
| InChI | InChI=1S/C16H14Cl2N4O2/c17-13-4-1-5-14(18)12(13)10-21-22-16(24)7-15(23)20-9-11-3-2-6-19-8-11/h1-6,8,10H,7,9H2,(H,20,23)(H,22,24) |
| InChIK | IFLZIPTXPRGXPW-UHFFFAOYSA-N |
| TotalMolweight | 365.219 |
| Molweight | 365.219 |
| MonoisotopicMass | 364.04938 |
| CLogP | 2.5188 |
| CLogS | -4.288 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 273.32 |
| Relative PSA | 0.26152 |
| PolarSurfaceArea | 83.45 |
| Druglikeness | 2.4135 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide | 2 - N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide
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