5-methyl-2-[3-[(1-methylazetidin-3-yl)methyl]azetidin-1-yl]pyridine

C14H21N3 — CID 171070051

IUPAC5-methyl-2-[3-[(1-methylazetidin-3-yl)methyl]azetidin-1-yl]pyridine
SMILESCc1ccc(N2CC(CC3CN(C)C3)C2)nc1
InChIInChI=1S/C14H21N3/c1-11-3-4-14(15-6-11)17-9-13(10-17)5-12-7-16(2)8-12/h3-4,6,12-13H,5,7-10H2,1-2H3
InChIKeyLMLQZQASPOIUQU-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.78
Rot. Bonds3

About 5-methyl-2-[3-[(1-methylazetidin-3-yl)methyl]azetidin-1-yl]pyridine

5-methyl-2-[3-[(1-methylazetidin-3-yl)methyl]azetidin-1-yl]pyridine (PubChem CID 171070051) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 5-methyl-2-[3-[(1-methylazetidin-3-yl)methyl]azetidin-1-yl]pyridine.

Molecular Properties

Compound Name5-methyl-2-[3-[(1-methylazetidin-3-yl)methyl]azetidin-1-yl]pyridine
PubChem CID171070051
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name5-methyl-2-[3-[(1-methylazetidin-3-yl)methyl]azetidin-1-yl]pyridine
SMILESCc1ccc(N2CC(CC3CN(C)C3)C2)nc1
InChIInChI=1S/C14H21N3/c1-11-3-4-14(15-6-11)17-9-13(10-17)5-12-7-16(2)8-12/h3-4,6,12-13H,5,7-10H2,1-2H3
InChIKeyLMLQZQASPOIUQU-UHFFFAOYSA-N
XLogP1.78
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[3-[(1-methylazetidin-3-yl)methyl]azetidin-1-yl]pyridine?
The IUPAC name of 5-methyl-2-[3-[(1-methylazetidin-3-yl)methyl]azetidin-1-yl]pyridine (CID 171070051) is 5-methyl-2-[3-[(1-methylazetidin-3-yl)methyl]azetidin-1-yl]pyridine.
What is the SMILES notation for 5-methyl-2-[3-[(1-methylazetidin-3-yl)methyl]azetidin-1-yl]pyridine?
The canonical SMILES for 5-methyl-2-[3-[(1-methylazetidin-3-yl)methyl]azetidin-1-yl]pyridine is Cc1ccc(N2CC(CC3CN(C)C3)C2)nc1.
What is the InChIKey of 5-methyl-2-[3-[(1-methylazetidin-3-yl)methyl]azetidin-1-yl]pyridine?
The InChIKey is LMLQZQASPOIUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-11-3-4-14(15-6-11)17-9-13(10-17)5-12-7-16(2)8-12/h3-4,6,12-13H,5,7-10H2,1-2H3.
What are the key properties of 5-methyl-2-[3-[(1-methylazetidin-3-yl)methyl]azetidin-1-yl]pyridine?
5-methyl-2-[3-[(1-methylazetidin-3-yl)methyl]azetidin-1-yl]pyridine has a molecular weight of 231.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[3-[(1-methylazetidin-3-yl)methyl]azetidin-1-yl]pyridine is sourced from PubChem (CID 171070051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).