2-(azetidin-3-ylmethyl)-4-methoxy-3,5-dimethylpyridine

C12H18N2O — CID 79452625

IUPAC2-(azetidin-3-ylmethyl)-4-methoxy-3,5-dimethylpyridine
SMILESCOc1c(C)cnc(CC2CNC2)c1C
InChIInChI=1S/C12H18N2O/c1-8-5-14-11(4-10-6-13-7-10)9(2)12(8)15-3/h5,10,13H,4,6-7H2,1-3H3
InChIKeyVVIRHRJKBJMVAC-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.47
Rot. Bonds3

About 2-(azetidin-3-ylmethyl)-4-methoxy-3,5-dimethylpyridine

2-(azetidin-3-ylmethyl)-4-methoxy-3,5-dimethylpyridine (PubChem CID 79452625) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethyl)-4-methoxy-3,5-dimethylpyridine.

Molecular Properties

Compound Name2-(azetidin-3-ylmethyl)-4-methoxy-3,5-dimethylpyridine
PubChem CID79452625
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(azetidin-3-ylmethyl)-4-methoxy-3,5-dimethylpyridine
SMILESCOc1c(C)cnc(CC2CNC2)c1C
InChIInChI=1S/C12H18N2O/c1-8-5-14-11(4-10-6-13-7-10)9(2)12(8)15-3/h5,10,13H,4,6-7H2,1-3H3
InChIKeyVVIRHRJKBJMVAC-UHFFFAOYSA-N
XLogP1.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 83261268
2-[(3-bromocycloheptyl)methyl]-4-methoxy-3,5-dimethylpyridine
CID 64507176
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropan-2-one
CID 116564272
4-methoxy-3,5-dimethyl-2-(2-piperidin-3-ylethoxymethyl)pyridine
CID 62357177
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentan-1-ol
CID 55125071
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-3-ylethanone
CID 116568377
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-ol
CID 64910537
4-methoxy-3,5-dimethyl-2-(piperidin-4-yloxymethyl)pyridine
CID 43346269
4-methoxy-3,5-dimethyl-2-[2-(oxiran-2-yl)ethyl]pyridine
CID 115410537
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-one
CID 64906550
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine;dihydrochloride
CID 119916634
2-[(3-cyclopentylazetidin-3-yl)methyl]-4-methoxy-3,5-dimethylpyridine
CID 115927285

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethyl)-4-methoxy-3,5-dimethylpyridine?
The IUPAC name of 2-(azetidin-3-ylmethyl)-4-methoxy-3,5-dimethylpyridine (CID 79452625) is 2-(azetidin-3-ylmethyl)-4-methoxy-3,5-dimethylpyridine.
What is the SMILES notation for 2-(azetidin-3-ylmethyl)-4-methoxy-3,5-dimethylpyridine?
The canonical SMILES for 2-(azetidin-3-ylmethyl)-4-methoxy-3,5-dimethylpyridine is COc1c(C)cnc(CC2CNC2)c1C.
What is the InChIKey of 2-(azetidin-3-ylmethyl)-4-methoxy-3,5-dimethylpyridine?
The InChIKey is VVIRHRJKBJMVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8-5-14-11(4-10-6-13-7-10)9(2)12(8)15-3/h5,10,13H,4,6-7H2,1-3H3.
What are the key properties of 2-(azetidin-3-ylmethyl)-4-methoxy-3,5-dimethylpyridine?
2-(azetidin-3-ylmethyl)-4-methoxy-3,5-dimethylpyridine has a molecular weight of 206.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethyl)-4-methoxy-3,5-dimethylpyridine is sourced from PubChem (CID 79452625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).