2-[1-(thiophene-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile

C14H11N3O2S — CID 122249236

IUPAC2-[1-(thiophene-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1cccnc1OC1CN(C(=O)c2ccsc2)C1
InChIInChI=1S/C14H11N3O2S/c15-6-10-2-1-4-16-13(10)19-12-7-17(8-12)14(18)11-3-5-20-9-11/h1-5,9,12H,7-8H2
InChIKeyOAMHKWBDWKXFGN-UHFFFAOYSA-N
MW285.33 g/mol
LogP1.92
Rot. Bonds3

About 2-[1-(thiophene-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile

2-[1-(thiophene-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile (PubChem CID 122249236) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-[1-(thiophene-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-(thiophene-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
PubChem CID122249236
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name2-[1-(thiophene-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1cccnc1OC1CN(C(=O)c2ccsc2)C1
InChIInChI=1S/C14H11N3O2S/c15-6-10-2-1-4-16-13(10)19-12-7-17(8-12)14(18)11-3-5-20-9-11/h1-5,9,12H,7-8H2
InChIKeyOAMHKWBDWKXFGN-UHFFFAOYSA-N
XLogP1.92
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-nitrobenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249124
2-[1-(4-tert-butylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249089
2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249005
2-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249084
2-[1-(furan-2-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249180
2-[1-(5-bromofuran-2-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249181
2-[1-(3,4-diethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249102
ethyl 3-[(3-cyano-2-pyridinyl)oxy]azetidine-1-carboxylate
CID 122249189
2-[1-(4-chlorobutanoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249080
2-[1-(2,5-dimethylfuran-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249209
2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249271
2-[1-(4-methyl-3-nitrobenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249126

Frequently Asked Questions

What is the IUPAC name of 2-[1-(thiophene-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 2-[1-(thiophene-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile (CID 122249236) is 2-[1-(thiophene-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-(thiophene-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 2-[1-(thiophene-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile is N#Cc1cccnc1OC1CN(C(=O)c2ccsc2)C1.
What is the InChIKey of 2-[1-(thiophene-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The InChIKey is OAMHKWBDWKXFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c15-6-10-2-1-4-16-13(10)19-12-7-17(8-12)14(18)11-3-5-20-9-11/h1-5,9,12H,7-8H2.
What are the key properties of 2-[1-(thiophene-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
2-[1-(thiophene-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile has a molecular weight of 285.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thiophene-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 122249236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).