N-(4-iodophenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]butanediamide
Formula:C16H15N4O2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-iodophenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]butanediamide is a drug-like molecule.
| MolName | N-(4-iodophenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]butanediamide |
| MolecularFormula | C16H15N4O2I |
| Smiles | O=C(CCC(N/N=C\c1ccncc1)=O)Nc(cc1)ccc1I |
| InChI | InChI=1S/C16H15IN4O2/c17-13-1-3-14(4-2-13)20-15(22)5-6-16(23)21-19-11-12-7-9-18-10-8-12/h1-4,7-11H,5-6H2,(H,20,22)(H,21,23) |
| InChIK | PDIPPYXAOMYCEX-UHFFFAOYSA-N |
| TotalMolweight | 422.221 |
| Molweight | 422.221 |
| MonoisotopicMass | 422.023974 |
| CLogP | 2.4889 |
| CLogS | -4.286 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 268.76 |
| Relative PSA | 0.26596 |
| PolarSurfaceArea | 83.45 |
| Druglikeness | 4.0185 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-(4-iodophenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]butanediamide | 2 - N-(4-iodophenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]butanediamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off