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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC(C)(C)C(=O)C1=C(C2=C(S1)N=C3CCN(CC3=C2)C)N |
|---|---|
| IUPAC Name | 1-(3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-2,2-dimethylpropan-1-one |
| InChIKey | VDADFQIVHVIQMC-UHFFFAOYSA-N |
| INCHI | 1S/C16H21N3OS/c1-16(2,3)14(20)13-12(17)10-7-9-8-19(4)6-5-11(9)18-15(10)21-13/h7H,5-6,8,17H2,1-4H3 |
| Isómeros SMILES | CC(C)(C)C(=O)C1=C(C2=C(S1)N=C3CCN(CC3=C2)C)N |
| PubChem CID | 690887 |
| Peso molecular | 303.43 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Diazanaphthalenes |
| Subclass | Naphthyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthyridines |
| Alternative Parents | Thienopyridines Aryl alkyl ketones Aralkylamines Pyridines and derivatives Aminothiophenes Vinylogous amides Heteroaromatic compounds Trialkylamines Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Naphthyridine - Thienopyridine - Aryl ketone - Aryl alkyl ketone - Aralkylamine - Aminothiophene - Pyridine - Thiophene - Heteroaromatic compound - Vinylogous amide - Ketone - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as naphthyridines. These are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom. |
| External Descriptors | Not available |
| Peso molecular | 303.400 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 303.141 Da |
| Monoisotopic Mass | 303.141 Da |
| Topological Polar Surface Area | 87.500 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 422.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |