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

C13H15N3O3 — CID 122248677

IUPAC6-[1-(2-ethoxyacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESCCOCC(=O)N1CC(Oc2ccc(C#N)cn2)C1
InChIInChI=1S/C13H15N3O3/c1-2-18-9-13(17)16-7-11(8-16)19-12-4-3-10(5-14)6-15-12/h3-4,6,11H,2,7-9H2,1H3
InChIKeyXHLOLYLWHOONRM-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.58
Rot. Bonds5

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

6-[1-(2-ethoxyacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile (PubChem CID 122248677) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 6-[1-(2-ethoxyacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(2-ethoxyacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
PubChem CID122248677
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name6-[1-(2-ethoxyacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESCCOCC(=O)N1CC(Oc2ccc(C#N)cn2)C1
InChIInChI=1S/C13H15N3O3/c1-2-18-9-13(17)16-7-11(8-16)19-12-4-3-10(5-14)6-15-12/h3-4,6,11H,2,7-9H2,1H3
InChIKeyXHLOLYLWHOONRM-UHFFFAOYSA-N
XLogP0.58
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-Methoxyethoxy)pyridine-3-carbonitrile
CID 24695049
6-(Pyrrolidin-3-yloxy)pyridine-3-carbonitrile
CID 62349494
2-(4-Fluorophenoxy)-1-{3-[(2-methylpropyl)[(pyridin-3-YL)methyl]amino]azetidin-1-YL}ethan-1-one
CID 124040986
2-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 650967
2-[2-(Dimethylamino)ethoxy]pyridine-3-carbonitrile
CID 12566180
6-((1-Acetylpiperidin-4-yl)oxy)nicotinonitrile
CID 71799078
US11802128, Example 29
CID 169490232
US11802128, Example 34
CID 169490237
2-(2-(Dimethylamino)ethoxy)pyridine-4-carbonitrile
CID 61102091
Tert-butyl 3-[(3-fluoropyridin-2-yl)oxy]azetidine-1-carboxylate
CID 75480853
6-Ethoxypyridine-3-carbonitrile
CID 18929445
2-(Cyclohexyloxy)pyridine-3-carbonitrile
CID 24703886

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-ethoxyacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 6-[1-(2-ethoxyacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile (CID 122248677) is 6-[1-(2-ethoxyacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(2-ethoxyacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(2-ethoxyacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile is CCOCC(=O)N1CC(Oc2ccc(C#N)cn2)C1.
What is the InChIKey of 6-[1-(2-ethoxyacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The InChIKey is XHLOLYLWHOONRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-2-18-9-13(17)16-7-11(8-16)19-12-4-3-10(5-14)6-15-12/h3-4,6,11H,2,7-9H2,1H3.
What are the key properties of 6-[1-(2-ethoxyacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
6-[1-(2-ethoxyacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile has a molecular weight of 261.28 g/mol, XLogP of 0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-ethoxyacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 122248677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).