2-(azetidin-3-yl)-1-(5-ethoxy-3-pyridinyl)propan-1-one

C13H18N2O2 — CID 116680661

IUPAC2-(azetidin-3-yl)-1-(5-ethoxy-3-pyridinyl)propan-1-one
SMILESCCOc1cncc(C(=O)C(C)C2CNC2)c1
InChIInChI=1S/C13H18N2O2/c1-3-17-12-4-10(5-15-8-12)13(16)9(2)11-6-14-7-11/h4-5,8-9,11,14H,3,6-7H2,1-2H3
InChIKeyYROFVVDUSDXCPP-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.52
Rot. Bonds5

About 2-(azetidin-3-yl)-1-(5-ethoxy-3-pyridinyl)propan-1-one

2-(azetidin-3-yl)-1-(5-ethoxy-3-pyridinyl)propan-1-one (PubChem CID 116680661) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-(5-ethoxy-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-(5-ethoxy-3-pyridinyl)propan-1-one
PubChem CID116680661
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(azetidin-3-yl)-1-(5-ethoxy-3-pyridinyl)propan-1-one
SMILESCCOc1cncc(C(=O)C(C)C2CNC2)c1
InChIInChI=1S/C13H18N2O2/c1-3-17-12-4-10(5-15-8-12)13(16)9(2)11-6-14-7-11/h4-5,8-9,11,14H,3,6-7H2,1-2H3
InChIKeyYROFVVDUSDXCPP-UHFFFAOYSA-N
XLogP1.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-yl)-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 116680587
2-cyclopropyl-1-(5-ethoxy-3-pyridinyl)-2-methoxyethanone
CID 116709078
3-amino-1-(5-ethoxy-3-pyridinyl)-2-methylbutan-1-one
CID 116612385
1-(5-ethoxy-3-pyridinyl)-2-methylsulfonylpropan-1-one
CID 115793668
(5-ethoxy-3-pyridinyl)-(4-ethylpiperidin-4-yl)methanone
CID 116568171
2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethanone
CID 116709111
2-(cyclopropylamino)-1-(5-ethoxy-3-pyridinyl)ethanone
CID 116555212
2-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-one
CID 115794017
(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methanone
CID 107187365
[1-(aminomethyl)cycloheptyl]-(5-ethoxy-3-pyridinyl)methanone
CID 116602231
3-cyclopentyl-1-(5-ethoxy-3-pyridinyl)propan-1-one
CID 115793861
2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone
CID 112574299

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-(5-ethoxy-3-pyridinyl)propan-1-one?
The IUPAC name of 2-(azetidin-3-yl)-1-(5-ethoxy-3-pyridinyl)propan-1-one (CID 116680661) is 2-(azetidin-3-yl)-1-(5-ethoxy-3-pyridinyl)propan-1-one.
What is the SMILES notation for 2-(azetidin-3-yl)-1-(5-ethoxy-3-pyridinyl)propan-1-one?
The canonical SMILES for 2-(azetidin-3-yl)-1-(5-ethoxy-3-pyridinyl)propan-1-one is CCOc1cncc(C(=O)C(C)C2CNC2)c1.
What is the InChIKey of 2-(azetidin-3-yl)-1-(5-ethoxy-3-pyridinyl)propan-1-one?
The InChIKey is YROFVVDUSDXCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-17-12-4-10(5-15-8-12)13(16)9(2)11-6-14-7-11/h4-5,8-9,11,14H,3,6-7H2,1-2H3.
What are the key properties of 2-(azetidin-3-yl)-1-(5-ethoxy-3-pyridinyl)propan-1-one?
2-(azetidin-3-yl)-1-(5-ethoxy-3-pyridinyl)propan-1-one has a molecular weight of 234.30 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-(5-ethoxy-3-pyridinyl)propan-1-one is sourced from PubChem (CID 116680661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).