2-(1-adamantyl)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
Formula:C18H23N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1-adamantyl)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(1-adamantyl)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide |
| MolecularFormula | C18H23N3O |
| Smiles | O=C(CC1(CC(C2)C3)CC3CC2C1)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C18H23N3O/c22-17(21-20-12-13-1-3-19-4-2-13)11-18-8-14-5-15(9-18)7-16(6-14)10-18/h1-4,12,14-16H,5-11H2,(H,21,22) |
| InChIK | YEDJKULVNVTVSW-UHFFFAOYSA-N |
| TotalMolweight | 297.401 |
| Molweight | 297.401 |
| MonoisotopicMass | 297.184112 |
| CLogP | 3.1084 |
| CLogS | -4.181 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 229.72 |
| Relative PSA | 0.20451 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 4.6666 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-(1-adamantyl)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide | 2 - 2-(1-adamantyl)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
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