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

C16H19N3O2S — CID 122248602

IUPAC6-[1-(2-cyclopentylsulfanylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CN(C(=O)CSC3CCCC3)C2)nc1
InChIInChI=1S/C16H19N3O2S/c17-7-12-5-6-15(18-8-12)21-13-9-19(10-13)16(20)11-22-14-3-1-2-4-14/h5-6,8,13-14H,1-4,9-11H2
InChIKeyHZUDTOYMHUZIAR-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.22
Rot. Bonds5

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

6-[1-(2-cyclopentylsulfanylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile (PubChem CID 122248602) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 6-[1-(2-cyclopentylsulfanylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(2-cyclopentylsulfanylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
PubChem CID122248602
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name6-[1-(2-cyclopentylsulfanylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CN(C(=O)CSC3CCCC3)C2)nc1
InChIInChI=1S/C16H19N3O2S/c17-7-12-5-6-15(18-8-12)21-13-9-19(10-13)16(20)11-22-14-3-1-2-4-14/h5-6,8,13-14H,1-4,9-11H2
InChIKeyHZUDTOYMHUZIAR-UHFFFAOYSA-N
XLogP2.22
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[1-(2-cyclohexylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248669
6-[1-(cyclopentanecarbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248667
6-[1-(2-benzylsulfanylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248760
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-(1-methyltetrazol-5-yl)sulfanylacetyl]azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248620
6-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248816
ethyl 2-[3-[(5-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoacetate
CID 122248678
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
6-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248830
3-[(5-cyano-2-pyridinyl)oxy]-N-(4-ethoxyphenyl)azetidine-1-carboxamide
CID 122248888

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-cyclopentylsulfanylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 6-[1-(2-cyclopentylsulfanylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile (CID 122248602) is 6-[1-(2-cyclopentylsulfanylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(2-cyclopentylsulfanylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(2-cyclopentylsulfanylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile is N#Cc1ccc(OC2CN(C(=O)CSC3CCCC3)C2)nc1.
What is the InChIKey of 6-[1-(2-cyclopentylsulfanylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The InChIKey is HZUDTOYMHUZIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c17-7-12-5-6-15(18-8-12)21-13-9-19(10-13)16(20)11-22-14-3-1-2-4-14/h5-6,8,13-14H,1-4,9-11H2.
What are the key properties of 6-[1-(2-cyclopentylsulfanylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
6-[1-(2-cyclopentylsulfanylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile has a molecular weight of 317.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-cyclopentylsulfanylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 122248602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).