| CAS Number | 244780-32-3 |
| Catalog Number | AG01AF8Y |
| Chemical Name | tert-butyl N-{3-[methoxy(methyl)carbamoyl]pyridin-4-yl}carbamate |
| IUPAC Name | tert-butyl N-[3-[methoxy(methyl)carbamoyl]pyridin-4-yl]carbamate |
| InChI | InChI=1S/C13H19N3O4/c1-13(2,3)20-12(18)15-10-6-7-14-8-9(10)11(17)16(4)19-5/h6-8H,1-5H3,(H,14,15,18) |
| InChI Key | CMRKBFWAKSLIOM-UHFFFAOYSA-N |
| MDL Number | MFCD24474436 |
| Molecular Formula | C13H19N3O4 |
| Molecular Weight | 281.3077 |
| SMILES | CON(C(C1=C(NC(OC(C)(C)C)=O)C=CN=C1)=O)C |
| Synonyms | tert-butyl N-{3-[methoxy(methyl)carbamoyl]pyridin-4-yl}carbamate,
244780-32-3,
SCHEMBL15919261,
ZINC95883785,
NE54620,
|
| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.312g/mol |
| Monoisotopic Mass | 281.138g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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