2-oxo-2-piperidin-1-yl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
Formula:C13H16N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-oxo-2-piperidin-1-yl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-oxo-2-piperidin-1-yl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide |
| MolecularFormula | C13H16N4O2 |
| Smiles | O=C(C(N1CCCCC1)=O)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C13H16N4O2/c18-12(13(19)17-7-2-1-3-8-17)16-15-10-11-5-4-6-14-9-11/h4-6,9-10H,1-3,7-8H2,(H,16,18) |
| InChIK | BCAWHVZUTRKHSX-UHFFFAOYSA-N |
| TotalMolweight | 260.296 |
| Molweight | 260.296 |
| MonoisotopicMass | 260.127326 |
| CLogP | 0.8338 |
| CLogS | -1.817 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 209.34 |
| Relative PSA | 0.30367 |
| PolarSurfaceArea | 74.66 |
| Druglikeness | 3.5439 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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