ethane;6-methyl-2-(1-methylazetidin-3-yl)oxy-3-(oxolan-3-yl)pyridine

C16H26N2O2 — CID 156651974

IUPACethane;6-methyl-2-(1-methylazetidin-3-yl)oxy-3-(oxolan-3-yl)pyridine
SMILESCC.Cc1ccc(C2CCOC2)c(OC2CN(C)C2)n1
InChIInChI=1S/C14H20N2O2.C2H6/c1-10-3-4-13(11-5-6-17-9-11)14(15-10)18-12-7-16(2)8-12;1-2/h3-4,11-12H,5-9H2,1-2H3;1-2H3
InChIKeyWBFARTJNOHUYRN-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.61
Rot. Bonds3

About ethane;6-methyl-2-(1-methylazetidin-3-yl)oxy-3-(oxolan-3-yl)pyridine

ethane;6-methyl-2-(1-methylazetidin-3-yl)oxy-3-(oxolan-3-yl)pyridine (PubChem CID 156651974) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is ethane;6-methyl-2-(1-methylazetidin-3-yl)oxy-3-(oxolan-3-yl)pyridine.

Molecular Properties

Compound Nameethane;6-methyl-2-(1-methylazetidin-3-yl)oxy-3-(oxolan-3-yl)pyridine
PubChem CID156651974
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Nameethane;6-methyl-2-(1-methylazetidin-3-yl)oxy-3-(oxolan-3-yl)pyridine
SMILESCC.Cc1ccc(C2CCOC2)c(OC2CN(C)C2)n1
InChIInChI=1S/C14H20N2O2.C2H6/c1-10-3-4-13(11-5-6-17-9-11)14(15-10)18-12-7-16(2)8-12;1-2/h3-4,11-12H,5-9H2,1-2H3;1-2H3
InChIKeyWBFARTJNOHUYRN-UHFFFAOYSA-N
XLogP2.61
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]methanamine
CID 164926709
N,N-dimethyl-1-[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]azetidin-3-amine
CID 156651438
2-[1-[[6-methyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]pyrrolidin-3-yl]ethanol
CID 166682596
ethane;2,2,2-trifluoro-N-methyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]ethanamine
CID 172576226
5-methyl-2-(oxolan-3-yl)-1H-imidazo[4,5-b]pyridine
CID 81136991
[6-methyl-3-(oxolan-3-yloxy)-2-pyridinyl]methanamine
CID 79162624
ethane;1-methyl-4-(oxolan-3-yl)isoquinoline
CID 177329440
4-[4-(4-methylphenoxy)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine
CID 126436493
2-methyl-8-[2-[4-[(3R)-oxolan-3-yl]triazol-1-yl]ethoxy]quinoline
CID 97143559
1-cyclopropyl-N-[[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]methanamine
CID 156652076
1-methyl-4-[2-(oxolan-3-yl)phenyl]pyrazol-5-amine
CID 117360416
2,2-difluoro-N-[[6-methylsulfanyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]ethanamine
CID 166682571

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-2-(1-methylazetidin-3-yl)oxy-3-(oxolan-3-yl)pyridine?
The IUPAC name of ethane;6-methyl-2-(1-methylazetidin-3-yl)oxy-3-(oxolan-3-yl)pyridine (CID 156651974) is ethane;6-methyl-2-(1-methylazetidin-3-yl)oxy-3-(oxolan-3-yl)pyridine.
What is the SMILES notation for ethane;6-methyl-2-(1-methylazetidin-3-yl)oxy-3-(oxolan-3-yl)pyridine?
The canonical SMILES for ethane;6-methyl-2-(1-methylazetidin-3-yl)oxy-3-(oxolan-3-yl)pyridine is CC.Cc1ccc(C2CCOC2)c(OC2CN(C)C2)n1.
What is the InChIKey of ethane;6-methyl-2-(1-methylazetidin-3-yl)oxy-3-(oxolan-3-yl)pyridine?
The InChIKey is WBFARTJNOHUYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.C2H6/c1-10-3-4-13(11-5-6-17-9-11)14(15-10)18-12-7-16(2)8-12;1-2/h3-4,11-12H,5-9H2,1-2H3;1-2H3.
What are the key properties of ethane;6-methyl-2-(1-methylazetidin-3-yl)oxy-3-(oxolan-3-yl)pyridine?
ethane;6-methyl-2-(1-methylazetidin-3-yl)oxy-3-(oxolan-3-yl)pyridine has a molecular weight of 278.40 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-2-(1-methylazetidin-3-yl)oxy-3-(oxolan-3-yl)pyridine is sourced from PubChem (CID 156651974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).