2-(3-methylazetidin-3-yl)oxy-N-(2-pyridin-3-ylethyl)acetamide

C13H19N3O2 — CID 102611828

IUPAC2-(3-methylazetidin-3-yl)oxy-N-(2-pyridin-3-ylethyl)acetamide
SMILESCC1(OCC(=O)NCCc2cccnc2)CNC1
InChIInChI=1S/C13H19N3O2/c1-13(9-15-10-13)18-8-12(17)16-6-4-11-3-2-5-14-7-11/h2-3,5,7,15H,4,6,8-10H2,1H3,(H,16,17)
InChIKeyIBXHRTFWZFBLNG-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.12
Rot. Bonds6

About 2-(3-methylazetidin-3-yl)oxy-N-(2-pyridin-3-ylethyl)acetamide

2-(3-methylazetidin-3-yl)oxy-N-(2-pyridin-3-ylethyl)acetamide (PubChem CID 102611828) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(3-methylazetidin-3-yl)oxy-N-(2-pyridin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)oxy-N-(2-pyridin-3-ylethyl)acetamide
PubChem CID102611828
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(3-methylazetidin-3-yl)oxy-N-(2-pyridin-3-ylethyl)acetamide
SMILESCC1(OCC(=O)NCCc2cccnc2)CNC1
InChIInChI=1S/C13H19N3O2/c1-13(9-15-10-13)18-8-12(17)16-6-4-11-3-2-5-14-7-11/h2-3,5,7,15H,4,6,8-10H2,1H3,(H,16,17)
InChIKeyIBXHRTFWZFBLNG-UHFFFAOYSA-N
XLogP0.12
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-3-ylethyl)acetamide
CID 112605093
2-piperidin-4-yloxy-N-(2-pyridin-3-ylethyl)acetamide
CID 55252246
methyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 115174685
3-methyl-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119946421
1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea
CID 110872248
methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate
CID 112616794
ethyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 60730072
2-piperidin-2-yl-N-(2-pyridin-3-ylethyl)acetamide
CID 115160524
2-(3-methylazetidin-3-yl)oxy-N-(quinolin-8-ylmethyl)acetamide
CID 102611921
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
3-(2-methoxyphenoxy)-N-(2-pyridin-3-ylethyl)propanamide
CID 86921991
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-(2-pyridin-3-ylethyl)acetamide?
The IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-(2-pyridin-3-ylethyl)acetamide (CID 102611828) is 2-(3-methylazetidin-3-yl)oxy-N-(2-pyridin-3-ylethyl)acetamide.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)oxy-N-(2-pyridin-3-ylethyl)acetamide?
The canonical SMILES for 2-(3-methylazetidin-3-yl)oxy-N-(2-pyridin-3-ylethyl)acetamide is CC1(OCC(=O)NCCc2cccnc2)CNC1.
What is the InChIKey of 2-(3-methylazetidin-3-yl)oxy-N-(2-pyridin-3-ylethyl)acetamide?
The InChIKey is IBXHRTFWZFBLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(9-15-10-13)18-8-12(17)16-6-4-11-3-2-5-14-7-11/h2-3,5,7,15H,4,6,8-10H2,1H3,(H,16,17).
What are the key properties of 2-(3-methylazetidin-3-yl)oxy-N-(2-pyridin-3-ylethyl)acetamide?
2-(3-methylazetidin-3-yl)oxy-N-(2-pyridin-3-ylethyl)acetamide has a molecular weight of 249.31 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylazetidin-3-yl)oxy-N-(2-pyridin-3-ylethyl)acetamide is sourced from PubChem (CID 102611828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).