<i>N</i>-Phenyl-<i>N</i>′-pyridylureas: stereochemical basis for anticonvulsant activity
Bibliographic record
Abstract
4-[N-(2-Chloro-6-methylphenyl)ureido]pyridinium chloride, C13H13ClN3O+·Cl− (CI-953 hydrochloride), crystallizes with Z′ = 2 in P\overline{1}. In both molecules, the methyl groups and Cl atoms on the benzene rings are disordered. The benzene rings of molecules A and B adopt two conformations, differing by a rotation of 180° about the C—N bond to the ureido group, in an approximate 1:1 ratio. This disorder is further enhanced by the rotation of the methyl groups in both adopted positions. The pyridine and benzene rings intersect at angles of 102.1 (1) and 111.3 (1)° for A and B, respectively. Hydrogen bonding is mediated by Cl− anions, resulting in indirect connectivity between the molecules. Superposition of the molecular structure, after 180° rotation about an amide bond, with that of phenytoin shows that the chemically different molecules possess stereochemical features in common, which may explain their common activities.
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How this classification was reachedexpand
Full frame distilled prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.002 | 0.001 |
| Research integrity | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.001 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one teacher head, not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".