| CAS Number | 216678-81-8 |
| Catalog Number | AG01BXHF(AGN-PC-03XQJ0) |
| Chemical Name | N-(3-formyl-4-methylpyridin-2-yl)-2,2-dimethylpropanamide |
| IUPAC Name | N-(3-formyl-4-methylpyridin-2-yl)-2,2-dimethylpropanamide |
| InChI | InChI=1S/C12H16N2O2/c1-8-5-6-13-10(9(8)7-15)14-11(16)12(2,3)4/h5-7H,1-4H3,(H,13,14,16) |
| InChI Key | JBNWWTXYDQRUQV-UHFFFAOYSA-N |
| MDL Number | MFCD30497679 |
| Molecular Formula | C12H16N2O2 |
| Molecular Weight | 220.2676 |
| SMILES | CC1=C(C=O)C(NC(C(C)(C)C)=O)=NC=C1 |
| Synonyms | 3-Formyl-4-methyl-2-(pivaloylamino)pyridine,
216678-81-8,
N-(3-formyl-4-methylpyridin-2-yl)-2,2-dimethylpropanamide,
SCHEMBL5677073,
JBNWWTXYDQRUQV-UHFFFAOYSA-N,
ZINC196817169,
3-formyl-4-methyl-2-(pivaloylamino)-pyridine,
2-(Pivaloylamino)-4-methylpyridine-3-carbaldehyde,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.272g/mol |
| Monoisotopic Mass | 220.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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