N-[2-(phenylcarbamoyl)phenyl]-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide
Formula:C21H17N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-(phenylcarbamoyl)phenyl]-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide is a drug-like molecule.
| MolName | N-[2-(phenylcarbamoyl)phenyl]-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide |
| MolecularFormula | C21H17N5O3 |
| Smiles | O=C(C(N/N=C\c1ccncc1)=O)Nc(cccc1)c1C(Nc1ccccc1)=O |
| InChI | InChI=1S/C21H17N5O3/c27-19(24-16-6-2-1-3-7-16)17-8-4-5-9-18(17)25-20(28)21(29)26-23-14-15-10-12-22-13-11-15/h1-14H,(H,24,27)(H,25,28)(H,26,29) |
| InChIK | VXADQZQPWYEWFO-UHFFFAOYSA-N |
| TotalMolweight | 387.398 |
| Molweight | 387.398 |
| MonoisotopicMass | 387.13314 |
| CLogP | 2.2905 |
| CLogS | -4.242 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 303.93 |
| Relative PSA | 0.3158 |
| PolarSurfaceArea | 112.55 |
| Druglikeness | 3.7478 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[2-(phenylcarbamoyl)phenyl]-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide | 2 - N-[2-(phenylcarbamoyl)phenyl]-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide
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