1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]-2-propylpentan-1-one

C17H26N2O2 — CID 122249461

IUPAC1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)N1CC(Oc2cccc(C)n2)C1
InChIInChI=1S/C17H26N2O2/c1-4-7-14(8-5-2)17(20)19-11-15(12-19)21-16-10-6-9-13(3)18-16/h6,9-10,14-15H,4-5,7-8,11-12H2,1-3H3
InChIKeyZQOYVYAIYUDCAT-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.20
Rot. Bonds7

About 1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]-2-propylpentan-1-one

1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]-2-propylpentan-1-one (PubChem CID 122249461) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]-2-propylpentan-1-one.

Molecular Properties

Compound Name1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]-2-propylpentan-1-one
PubChem CID122249461
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)N1CC(Oc2cccc(C)n2)C1
InChIInChI=1S/C17H26N2O2/c1-4-7-14(8-5-2)17(20)19-11-15(12-19)21-16-10-6-9-13(3)18-16/h6,9-10,14-15H,4-5,7-8,11-12H2,1-3H3
InChIKeyZQOYVYAIYUDCAT-UHFFFAOYSA-N
XLogP3.20
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one
CID 122249453
1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122249452
3-[(6-methyl-2-pyridinyl)oxy]-N-propan-2-ylazetidine-1-carboxamide
CID 122249708
4-bromo-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one
CID 122249599
(2,6-difluorophenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 122249513
(3-methylphenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 122249483
N-(2-methoxyethyl)-3-[(6-methyl-2-pyridinyl)oxy]azetidine-1-carboxamide
CID 122249711
2-(4-methoxyphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122249548
1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-propylpentan-1-one
CID 122260717
2-(2-methylphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122249550
3-cyclohexyl-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]propan-1-one
CID 122249467
3-[(6-methyl-2-pyridinyl)oxy]-N-(2-phenylethyl)azetidine-1-carboxamide
CID 122249689

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]-2-propylpentan-1-one?
The IUPAC name of 1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]-2-propylpentan-1-one (CID 122249461) is 1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]-2-propylpentan-1-one.
What is the SMILES notation for 1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]-2-propylpentan-1-one?
The canonical SMILES for 1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]-2-propylpentan-1-one is CCCC(CCC)C(=O)N1CC(Oc2cccc(C)n2)C1.
What is the InChIKey of 1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]-2-propylpentan-1-one?
The InChIKey is ZQOYVYAIYUDCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-7-14(8-5-2)17(20)19-11-15(12-19)21-16-10-6-9-13(3)18-16/h6,9-10,14-15H,4-5,7-8,11-12H2,1-3H3.
What are the key properties of 1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]-2-propylpentan-1-one?
1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]-2-propylpentan-1-one has a molecular weight of 290.41 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]-2-propylpentan-1-one is sourced from PubChem (CID 122249461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).