4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2,6-dimethylpyridine-3-carbonitrile

C15H19N3O — CID 81060456

IUPAC4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N2CCOC3CCCC32)c(C#N)c(C)n1
InChIInChI=1S/C15H19N3O/c1-10-8-14(12(9-16)11(2)17-10)18-6-7-19-15-5-3-4-13(15)18/h8,13,15H,3-7H2,1-2H3
InChIKeyWGKDUXYGJGYNBL-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.33
Rot. Bonds1

About 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2,6-dimethylpyridine-3-carbonitrile

4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81060456) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81060456
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N2CCOC3CCCC32)c(C#N)c(C)n1
InChIInChI=1S/C15H19N3O/c1-10-8-14(12(9-16)11(2)17-10)18-6-7-19-15-5-3-4-13(15)18/h8,13,15H,3-7H2,1-2H3
InChIKeyWGKDUXYGJGYNBL-UHFFFAOYSA-N
XLogP2.33
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2,6-dimethylpyridine-3-carbonitrile with MolForge

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Related Compounds

4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
CID 81060387
1-(3-cyano-2,6-dimethyl-4-pyridinyl)piperidine-2-carboxylic acid
CID 81050172
1-(3-cyano-2,6-dimethyl-4-pyridinyl)azepane-2-carboxylic acid
CID 81060800
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-bromobenzonitrile
CID 114880867
1-(3-cyano-2,6-dimethyl-4-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid
CID 81060702
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-chloropyridine-4-carbonitrile
CID 83076239
4-[(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-3-fluorobenzonitrile
CID 124678225
3-[1-(3-cyano-2,6-dimethyl-4-pyridinyl)piperidin-2-yl]propanoic acid
CID 81050038
ethyl 1-(3-cyano-2,6-dimethyl-4-pyridinyl)pyrrolidine-2-carboxylate
CID 81060455
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-difluorobenzonitrile
CID 81283690
4-[4-(azepane-1-carbonyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 133396507
2,6-dimethyl-4-(4-propan-2-ylazepan-1-yl)pyridine-3-carbonitrile
CID 81060762

Frequently Asked Questions

What is the IUPAC name of 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2,6-dimethylpyridine-3-carbonitrile (CID 81060456) is 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(N2CCOC3CCCC32)c(C#N)c(C)n1.
What is the InChIKey of 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is WGKDUXYGJGYNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-8-14(12(9-16)11(2)17-10)18-6-7-19-15-5-3-4-13(15)18/h8,13,15H,3-7H2,1-2H3.
What are the key properties of 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2,6-dimethylpyridine-3-carbonitrile?
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 257.34 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81060456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).