C22H21N3O4 — CID 109100075
6-N-(2,5-dimethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide (PubChem CID 109100075) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 6-N-(2,5-dimethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide.
| Compound Name | 6-N-(2,5-dimethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide |
|---|---|
| PubChem CID | 109100075 |
| Molecular Formula | C22H21N3O4 |
| Molecular Weight | 391.43 g/mol |
| Exact Mass | 391.15 |
| IUPAC Name | 6-N-(2,5-dimethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide |
| SMILES | COc1ccc(OC)c(NC(=O)c2cccc(C(=O)Nc3ccccc3C)n2)c1 |
| InChI | InChI=1S/C22H21N3O4/c1-14-7-4-5-8-16(14)24-21(26)17-9-6-10-18(23-17)22(27)25-19-13-15(28-2)11-12-20(19)29-3/h4-13H,1-3H3,(H,24,26)(H,25,27) |
| InChIKey | ABKSETNTZIIIIY-UHFFFAOYSA-N |
| XLogP | 3.91 |
| TPSA | 89.55 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 29 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 391.43 |
| LogP ≤ 5 | 3.91 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |