4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,6-dimethylpyridine-3-carbonitrile

C16H21N3 — CID 81060387

IUPAC4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N2CCCC3CCCC32)c(C#N)c(C)n1
InChIInChI=1S/C16H21N3/c1-11-9-16(14(10-17)12(2)18-11)19-8-4-6-13-5-3-7-15(13)19/h9,13,15H,3-8H2,1-2H3
InChIKeyFYXDTSISXXQPIA-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.34
Rot. Bonds1

About 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,6-dimethylpyridine-3-carbonitrile

4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81060387) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81060387
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N2CCCC3CCCC32)c(C#N)c(C)n1
InChIInChI=1S/C16H21N3/c1-11-9-16(14(10-17)12(2)18-11)19-8-4-6-13-5-3-7-15(13)19/h9,13,15H,3-8H2,1-2H3
InChIKeyFYXDTSISXXQPIA-UHFFFAOYSA-N
XLogP3.34
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,6-dimethylpyridine-3-carbonitrile with MolForge

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Related Compounds

4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2,6-dimethylpyridine-3-carbonitrile
CID 81060456
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
ethyl 1-(3-cyano-2,6-dimethyl-4-pyridinyl)pyrrolidine-2-carboxylate
CID 81060455
2,6-dimethyl-4-(4-propan-2-ylazepan-1-yl)pyridine-3-carbonitrile
CID 81060762
3-[1-(3-cyano-2,6-dimethyl-4-pyridinyl)piperidin-2-yl]propanoic acid
CID 81050038
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2,6-dimethylpyridine-3-carboxylic acid
CID 82752709
1-(3-cyano-2,6-dimethyl-4-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid
CID 81060702
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
CID 65320667
4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 103823129
2,6-dimethyl-4-[3-(methylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 113282062
4-[4-(azepane-1-carbonyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 133396507

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,6-dimethylpyridine-3-carbonitrile (CID 81060387) is 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(N2CCCC3CCCC32)c(C#N)c(C)n1.
What is the InChIKey of 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is FYXDTSISXXQPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11-9-16(14(10-17)12(2)18-11)19-8-4-6-13-5-3-7-15(13)19/h9,13,15H,3-8H2,1-2H3.
What are the key properties of 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,6-dimethylpyridine-3-carbonitrile?
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 255.36 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81060387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).