3-[(Z)-pyridin-4-ylmethylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
Formula:C14H16N4O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-[(Z)-pyridin-4-ylmethylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is a drug-like molecule.
| MolName | 3-[(Z)-pyridin-4-ylmethylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione |
| MolecularFormula | C14H16N4O2 |
| Smiles | O=C(C1(CCCCC1)NC1=O)N1/N=C\c1ccncc1 |
| InChI | InChI=1S/C14H16N4O2/c19-12-14(6-2-1-3-7-14)17-13(20)18(12)16-10-11-4-8-15-9-5-11/h4-5,8-10H,1-3,6-7H2,(H,17,20) |
| InChIK | WXRXOWDKVGJUGR-UHFFFAOYSA-N |
| TotalMolweight | 272.307 |
| Molweight | 272.307 |
| MonoisotopicMass | 272.127326 |
| CLogP | 1.1499 |
| CLogS | -2.941 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 206.25 |
| Relative PSA | 0.30822 |
| PolarSurfaceArea | 74.66 |
| Druglikeness | 1.5523 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 3-[(Z)-pyridin-4-ylmethylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione | 2 - 3-[(Z)-pyridin-4-ylmethylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
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