2-[(3-cyclopentylazetidin-3-yl)methyl]-4-methoxy-3,5-dimethylpyridine

C17H26N2O — CID 115927285

IUPAC2-[(3-cyclopentylazetidin-3-yl)methyl]-4-methoxy-3,5-dimethylpyridine
SMILESCOc1c(C)cnc(CC2(C3CCCC3)CNC2)c1C
InChIInChI=1S/C17H26N2O/c1-12-9-19-15(13(2)16(12)20-3)8-17(10-18-11-17)14-6-4-5-7-14/h9,14,18H,4-8,10-11H2,1-3H3
InChIKeyTZRQDQTYIDHEJR-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.03
Rot. Bonds4

About 2-[(3-cyclopentylazetidin-3-yl)methyl]-4-methoxy-3,5-dimethylpyridine

2-[(3-cyclopentylazetidin-3-yl)methyl]-4-methoxy-3,5-dimethylpyridine (PubChem CID 115927285) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[(3-cyclopentylazetidin-3-yl)methyl]-4-methoxy-3,5-dimethylpyridine.

Molecular Properties

Compound Name2-[(3-cyclopentylazetidin-3-yl)methyl]-4-methoxy-3,5-dimethylpyridine
PubChem CID115927285
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-[(3-cyclopentylazetidin-3-yl)methyl]-4-methoxy-3,5-dimethylpyridine
SMILESCOc1c(C)cnc(CC2(C3CCCC3)CNC2)c1C
InChIInChI=1S/C17H26N2O/c1-12-9-19-15(13(2)16(12)20-3)8-17(10-18-11-17)14-6-4-5-7-14/h9,14,18H,4-8,10-11H2,1-3H3
InChIKeyTZRQDQTYIDHEJR-UHFFFAOYSA-N
XLogP3.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-cyclopentylazetidin-3-yl)methyl]-4-methoxy-3,5-dimethylpyridine with MolForge

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Related Compounds

2-(azetidin-3-ylmethyl)-4-methoxy-3,5-dimethylpyridine
CID 79452625
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 83261268
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-ol
CID 65142759
4-methoxy-3,5-dimethyl-2-(piperidin-4-yloxymethyl)pyridine
CID 43346269
[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol
CID 66058388
2-[(3-bromocycloheptyl)methyl]-4-methoxy-3,5-dimethylpyridine
CID 64507176
4-fluoro-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 112562312
[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 62016087
[(2S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 57091133
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentan-1-ol
CID 55125071
2-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-4-methoxy-3,5-dimethylpyridine
CID 115927255
3-fluoro-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentan-1-amine
CID 112565621

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopentylazetidin-3-yl)methyl]-4-methoxy-3,5-dimethylpyridine?
The IUPAC name of 2-[(3-cyclopentylazetidin-3-yl)methyl]-4-methoxy-3,5-dimethylpyridine (CID 115927285) is 2-[(3-cyclopentylazetidin-3-yl)methyl]-4-methoxy-3,5-dimethylpyridine.
What is the SMILES notation for 2-[(3-cyclopentylazetidin-3-yl)methyl]-4-methoxy-3,5-dimethylpyridine?
The canonical SMILES for 2-[(3-cyclopentylazetidin-3-yl)methyl]-4-methoxy-3,5-dimethylpyridine is COc1c(C)cnc(CC2(C3CCCC3)CNC2)c1C.
What is the InChIKey of 2-[(3-cyclopentylazetidin-3-yl)methyl]-4-methoxy-3,5-dimethylpyridine?
The InChIKey is TZRQDQTYIDHEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-9-19-15(13(2)16(12)20-3)8-17(10-18-11-17)14-6-4-5-7-14/h9,14,18H,4-8,10-11H2,1-3H3.
What are the key properties of 2-[(3-cyclopentylazetidin-3-yl)methyl]-4-methoxy-3,5-dimethylpyridine?
2-[(3-cyclopentylazetidin-3-yl)methyl]-4-methoxy-3,5-dimethylpyridine has a molecular weight of 274.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopentylazetidin-3-yl)methyl]-4-methoxy-3,5-dimethylpyridine is sourced from PubChem (CID 115927285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).