2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyridine-4-carbonitrile

C15H19N3 — CID 43620425

IUPAC2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC3CCCCC3C2)c1
InChIInChI=1S/C15H19N3/c16-10-12-5-7-17-15(9-12)18-8-6-13-3-1-2-4-14(13)11-18/h5,7,9,13-14H,1-4,6,8,11H2
InChIKeyCKVRLJBGLSXYAG-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.97
Rot. Bonds1

About 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyridine-4-carbonitrile

2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyridine-4-carbonitrile (PubChem CID 43620425) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyridine-4-carbonitrile
PubChem CID43620425
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC3CCCCC3C2)c1
InChIInChI=1S/C15H19N3/c16-10-12-5-7-17-15(9-12)18-8-6-13-3-1-2-4-14(13)11-18/h5,7,9,13-14H,1-4,6,8,11H2
InChIKeyCKVRLJBGLSXYAG-UHFFFAOYSA-N
XLogP2.97
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyridine-4-carbonitrile with MolForge

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Related Compounds

2-(3-pyrrolidin-3-ylpiperidin-1-yl)pyridine-4-carbonitrile
CID 128843965
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile
CID 79170700
2-[4-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]piperidin-1-yl]pyridine-4-carbonitrile
CID 25011858
2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile
CID 61242795
2-(3-hydroxyazetidin-1-yl)pyridine-4-carbonitrile
CID 63282526
[1-(4-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamic acid
CID 142318568
2-(3-ethoxypiperidin-1-yl)pyridine-4-carbonitrile
CID 54989758
2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 54986436
2-[4-(ethylaminomethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 80551978
2-[(3R,4R)-3-hydroxy-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]pyridine-4-carbonitrile
CID 56870834
2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]pyridine-4-carbonitrile
CID 35324791
2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
CID 24710920

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyridine-4-carbonitrile (CID 43620425) is 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyridine-4-carbonitrile is N#Cc1ccnc(N2CCC3CCCCC3C2)c1.
What is the InChIKey of 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyridine-4-carbonitrile?
The InChIKey is CKVRLJBGLSXYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c16-10-12-5-7-17-15(9-12)18-8-6-13-3-1-2-4-14(13)11-18/h5,7,9,13-14H,1-4,6,8,11H2.
What are the key properties of 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyridine-4-carbonitrile?
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyridine-4-carbonitrile has a molecular weight of 241.34 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 43620425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).