3-(1,4-dioxaspiro[4.5]decan-6-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide
Formula:C17H23N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(1,4-dioxaspiro[4.5]decan-6-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide is a drug-like molecule.
| MolName | 3-(1,4-dioxaspiro[4.5]decan-6-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide |
| MolecularFormula | C17H23N3O3 |
| Smiles | O=C(CCC(CCCC1)C11OCCO1)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C17H23N3O3/c21-16(20-19-13-14-4-3-9-18-12-14)7-6-15-5-1-2-8-17(15)22-10-11-23-17/h3-4,9,12-13,15H,1-2,5-8,10-11H2,(H,20,21)/t15-/m1/s1 |
| InChIK | QFQWEQWGTDZQNQ-OAHLLOKOSA-N |
| TotalMolweight | 317.388 |
| Molweight | 317.388 |
| MonoisotopicMass | 317.173942 |
| CLogP | 2.1632 |
| CLogS | -3.308 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 251.98 |
| Relative PSA | 0.26581 |
| PolarSurfaceArea | 72.81 |
| Druglikeness | -6.6365 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 12 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - 3-(1,4-dioxaspiro[4.5]decan-6-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide | 2 - 3-(1,4-dioxaspiro[4.5]decan-6-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide
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