2-(4-iodoanilino)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
Formula:C14H13N4OI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-iodoanilino)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-iodoanilino)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide |
| MolecularFormula | C14H13N4OI |
| Smiles | O=C(CNc(cc1)ccc1I)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C14H13IN4O/c15-12-3-5-13(6-4-12)17-10-14(20)19-18-9-11-2-1-7-16-8-11/h1-9,17H,10H2,(H,19,20) |
| InChIK | GZVHJHWDAJUYNE-UHFFFAOYSA-N |
| TotalMolweight | 380.184 |
| Molweight | 380.184 |
| MonoisotopicMass | 380.013409 |
| CLogP | 1.9297 |
| CLogS | -3.764 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 237.25 |
| Relative PSA | 0.24632 |
| PolarSurfaceArea | 66.38 |
| Druglikeness | 5.4486 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-(4-iodoanilino)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide | 2 - 2-(4-iodoanilino)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
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