C12H16N2O3 — CID 43414824
5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 43414824) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid.
| Compound Name | 5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid |
|---|---|
| PubChem CID | 43414824 |
| Molecular Formula | C12H16N2O3 |
| Molecular Weight | 236.27 g/mol |
| Exact Mass | 236.12 |
| IUPAC Name | 5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid |
| SMILES | CCCCN(C)C(=O)c1ccc(C(=O)O)nc1 |
| InChI | InChI=1S/C12H16N2O3/c1-3-4-7-14(2)11(15)9-5-6-10(12(16)17)13-8-9/h5-6,8H,3-4,7H2,1-2H3,(H,16,17) |
| InChIKey | RWUNENYEEDLZSF-UHFFFAOYSA-N |
| XLogP | 1.65 |
| TPSA | 70.50 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 17 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 236.27 |
| LogP ≤ 5 | 1.65 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |