N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
Formula:C17H17N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(pyridin-3-ylmethyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(pyridin-3-ylmethyl)oxamide |
| MolecularFormula | C17H17N5O4 |
| Smiles | NC(COc1ccc(/C=N\NC(C(NCc2cnccc2)=O)=O)cc1)=O |
| InChI | InChI=1S/C17H17N5O4/c18-15(23)11-26-14-5-3-12(4-6-14)10-21-22-17(25)16(24)20-9-13-2-1-7-19-8-13/h1-8,10H,9,11H2,(H2,18,23)(H,20,24)(H,22,25) |
| InChIK | RNJSPJLERCNSOC-UHFFFAOYSA-N |
| TotalMolweight | 355.353 |
| Molweight | 355.353 |
| MonoisotopicMass | 355.128055 |
| CLogP | -0.4854 |
| CLogS | -2.415 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 278.75 |
| Relative PSA | 0.39387 |
| PolarSurfaceArea | 135.77 |
| Druglikeness | 4.2006 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(pyridin-3-ylmethyl)oxamide | 2 - N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
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