| CAS Number | 1820642-01-0 |
| Catalog Number | AG00I0N3(AGN-PC-0WR47N) |
| Chemical Name | Methyl 3-pivalamidoisonicotinate |
| IUPAC Name | methyl 3-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate |
| InChI | InChI=1S/C12H16N2O3/c1-12(2,3)11(16)14-9-7-13-6-5-8(9)10(15)17-4/h5-7H,1-4H3,(H,14,16) |
| InChI Key | SAJFQGYLECXXOR-UHFFFAOYSA-N |
| MDL Number | MFCD28122696 |
| Molecular Formula | C12H16N2O3 |
| Molecular Weight | 236.2670 |
| SMILES | COC(=O)c1ccncc1NC(=O)C(C)(C)C |
| Synonyms | Methyl 3-pivalamidoisonicotinate,
1820642-01-0,
ZINC216706019,
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| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.271g/mol |
| Monoisotopic Mass | 236.116g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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