6-[1-(2-cyclohexylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile

C17H21N3O2 — CID 122248669

IUPAC6-[1-(2-cyclohexylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CN(C(=O)CC3CCCCC3)C2)nc1
InChIInChI=1S/C17H21N3O2/c18-9-14-6-7-16(19-10-14)22-15-11-20(12-15)17(21)8-13-4-2-1-3-5-13/h6-7,10,13,15H,1-5,8,11-12H2
InChIKeyLVGCYYCFCSVILI-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.51
Rot. Bonds4

About 6-[1-(2-cyclohexylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile

6-[1-(2-cyclohexylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile (PubChem CID 122248669) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 6-[1-(2-cyclohexylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(2-cyclohexylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
PubChem CID122248669
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name6-[1-(2-cyclohexylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CN(C(=O)CC3CCCCC3)C2)nc1
InChIInChI=1S/C17H21N3O2/c18-9-14-6-7-16(19-10-14)22-15-11-20(12-15)17(21)8-13-4-2-1-3-5-13/h6-7,10,13,15H,1-5,8,11-12H2
InChIKeyLVGCYYCFCSVILI-UHFFFAOYSA-N
XLogP2.51
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-(2-cyclopentylsulfanylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248602
6-[1-(cyclopentanecarbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248667
3-[(5-cyano-2-pyridinyl)oxy]-N-cyclohexylazetidine-1-carboxamide
CID 122248876
6-[1-(2-ethoxyacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248677
6-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248816
6-[1-(2-benzylsulfanylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248760
ethyl 2-[3-[(5-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoacetate
CID 122248678
6-[1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248620
N-benzyl-3-[(5-cyano-2-pyridinyl)oxy]azetidine-1-carboxamide
CID 122248897
6-[1-[2-(1,2-benzoxazol-3-yl)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248633
2-cyclohexyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122259749
6-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248830

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-cyclohexylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 6-[1-(2-cyclohexylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile (CID 122248669) is 6-[1-(2-cyclohexylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(2-cyclohexylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(2-cyclohexylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile is N#Cc1ccc(OC2CN(C(=O)CC3CCCCC3)C2)nc1.
What is the InChIKey of 6-[1-(2-cyclohexylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The InChIKey is LVGCYYCFCSVILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c18-9-14-6-7-16(19-10-14)22-15-11-20(12-15)17(21)8-13-4-2-1-3-5-13/h6-7,10,13,15H,1-5,8,11-12H2.
What are the key properties of 6-[1-(2-cyclohexylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
6-[1-(2-cyclohexylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile has a molecular weight of 299.37 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-cyclohexylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 122248669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).