| Canonical Smiles | CC1=CC=CC=C1C2=CC(=NC=C2C#N)N3CCOCC3 |
|---|---|
| IUPAC Name | 4-(2-methylphenyl)-6-morpholin-4-ylpyridine-3-carbonitrile |
| InChIKey | UVHWTUYCOIGIDH-UHFFFAOYSA-N |
| INCHI | 1S/C17H17N3O/c1-13-4-2-3-5-15(13)16-10-17(19-12-14(16)11-18)20-6-8-21-9-7-20/h2-5,10,12H,6-9H2,1H3 |
| Molecular Weight | 279.34 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Phenylpyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyridines |
| Alternative Parents | Dialkylarylamines 3-pyridinecarbonitriles Toluenes Aminopyridines and derivatives Morpholines Imidolactams Heteroaromatic compounds Oxacyclic compounds Nitriles Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 4-phenylpyridine - Dialkylarylamine - 3-pyridinecarbonitrile - Aminopyridine - Toluene - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Imidolactam - Heteroaromatic compound - Nitrile - Carbonitrile - Ether - Dialkyl ether - Azacycle - Oxacycle - Amine - Cyanide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond. |
| External Descriptors | Not available |
| Molecular Weight | 279.340 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 279.137 Da |
| Monoisotopic Mass | 279.137 Da |
| Topological Polar Surface Area | 49.200 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 385.000 |
| 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 |
