3-(3-acetyl-2-amino-5-cyano-6-methyl-4H-pyran-4-yl)-1-methylpyridin-1-ium--iodide (1/1)
Chemical Structure Depiction of
3-(3-acetyl-2-amino-5-cyano-6-methyl-4H-pyran-4-yl)-1-methylpyridin-1-ium--iodide (1/1)
3-(3-acetyl-2-amino-5-cyano-6-methyl-4H-pyran-4-yl)-1-methylpyridin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | Y500-5632 |
| Compound Name: | 3-(3-acetyl-2-amino-5-cyano-6-methyl-4H-pyran-4-yl)-1-methylpyridin-1-ium--iodide (1/1) |
| Molecular Weight: | 397.21 |
| Molecular Formula: | C15 H16 N3 O2 |
| Salt: | I- |
| Smiles: | CC1=C(C#N)C(C(=C(N)O1)C(C)=O)c1ccc[n+](C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4319 |
| logD: | 0.4319 |
| logSw: | -1.1227 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.778 |
| InChI Key: | LTTUWHWGLKDZSQ-CQSZACIVSA-O |