N-[4-(cyanomethyl)phenyl]-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide
Formula:C16H13N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[4-(cyanomethyl)phenyl]-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide is a drug-like molecule.
| MolName | N-[4-(cyanomethyl)phenyl]-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide |
| MolecularFormula | C16H13N5O2 |
| Smiles | N#CCc(cc1)ccc1NC(C(N/N=C\c1cnccc1)=O)=O |
| InChI | InChI=1S/C16H13N5O2/c17-8-7-12-3-5-14(6-4-12)20-15(22)16(23)21-19-11-13-2-1-9-18-10-13/h1-6,9-11H,7H2,(H,20,22)(H,21,23) |
| InChIK | YSDUBNWZWWTJRW-UHFFFAOYSA-N |
| TotalMolweight | 307.312 |
| Molweight | 307.312 |
| MonoisotopicMass | 307.106925 |
| CLogP | 1.1481 |
| CLogS | -3.381 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 250.43 |
| Relative PSA | 0.33958 |
| PolarSurfaceArea | 107.24 |
| Druglikeness | -3.61 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[4-(cyanomethyl)phenyl]-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide | 2 - N-[4-(cyanomethyl)phenyl]-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide
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