2-[(2-phenoxyacetyl)amino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
Formula:C16H16N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2-phenoxyacetyl)amino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(2-phenoxyacetyl)amino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide |
| MolecularFormula | C16H16N4O3 |
| Smiles | O=C(CNC(COc1ccccc1)=O)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C16H16N4O3/c21-15(20-19-10-13-5-4-8-17-9-13)11-18-16(22)12-23-14-6-2-1-3-7-14/h1-10H,11-12H2,(H,18,22)(H,20,21) |
| InChIK | CTOJTWBVEUZUBT-UHFFFAOYSA-N |
| TotalMolweight | 312.328 |
| Molweight | 312.328 |
| MonoisotopicMass | 312.122241 |
| CLogP | 0.8593 |
| CLogS | -2.473 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 252.48 |
| Relative PSA | 0.32272 |
| PolarSurfaceArea | 92.68 |
| Druglikeness | 5.1895 |
| 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 | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(2-phenoxyacetyl)amino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide | 2 - 2-[(2-phenoxyacetyl)amino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
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