N-(pyridin-3-ylmethyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide
Formula:C14H13N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(pyridin-3-ylmethyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide is a drug-like molecule.
| MolName | N-(pyridin-3-ylmethyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide |
| MolecularFormula | C14H13N5O2 |
| Smiles | O=C(C(N/N=C\c1ccncc1)=O)NCc1cnccc1 |
| InChI | InChI=1S/C14H13N5O2/c20-13(17-9-12-2-1-5-16-8-12)14(21)19-18-10-11-3-6-15-7-4-11/h1-8,10H,9H2,(H,17,20)(H,19,21) |
| InChIK | QTGUDZVJIFMVMO-UHFFFAOYSA-N |
| TotalMolweight | 283.29 |
| Molweight | 283.29 |
| MonoisotopicMass | 283.106925 |
| CLogP | -0.1485 |
| CLogS | -1.751 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 227.48 |
| Relative PSA | 0.36245 |
| PolarSurfaceArea | 96.34 |
| Druglikeness | 4.0479 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| 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 | 2 |
| StereoCon |
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