2-[[3-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]phenoxy]methyl]pyridine

C23H24N2O3 — CID 77097732

IUPAC2-[[3-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]phenoxy]methyl]pyridine
SMILESCOc1cccc(OC2CN(Cc3cccc(OCc4ccccn4)c3)C2)c1
InChIInChI=1S/C23H24N2O3/c1-26-20-8-5-10-22(13-20)28-23-15-25(16-23)14-18-6-4-9-21(12-18)27-17-19-7-2-3-11-24-19/h2-13,23H,14-17H2,1H3
InChIKeyFXZIBQOCQJKZNC-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.93
Rot. Bonds8

About 2-[[3-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]phenoxy]methyl]pyridine

2-[[3-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]phenoxy]methyl]pyridine (PubChem CID 77097732) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[[3-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]phenoxy]methyl]pyridine.

Molecular Properties

Compound Name2-[[3-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]phenoxy]methyl]pyridine
PubChem CID77097732
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name2-[[3-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]phenoxy]methyl]pyridine
SMILESCOc1cccc(OC2CN(Cc3cccc(OCc4ccccn4)c3)C2)c1
InChIInChI=1S/C23H24N2O3/c1-26-20-8-5-10-22(13-20)28-23-15-25(16-23)14-18-6-4-9-21(12-18)27-17-19-7-2-3-11-24-19/h2-13,23H,14-17H2,1H3
InChIKeyFXZIBQOCQJKZNC-UHFFFAOYSA-N
XLogP3.93
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazin-1-yl]pyrimidine
CID 50972913
(4aS,7aS)-4-methyl-6-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97160029
[(3S,6R)-6-(dimethylamino)-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]azepan-3-yl]methanol
CID 171908272
2-[[3-[(4-piperidin-4-ylpiperidin-1-yl)methyl]phenoxy]methyl]pyridine
CID 146037998
2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 126786698
2-(3-methoxyphenyl)-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 95851698
(2S,4S)-4-methoxy-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 128979882
4-[(3S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]oxypyridine
CID 97236462
2-benzyl-5-[(3-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155875929
8-[(3-methoxyphenyl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 97449576
2,5-dimethyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine;hydrochloride
CID 120905953
(2S)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]morpholine-2-carboxylic acid
CID 125438870

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]phenoxy]methyl]pyridine?
The IUPAC name of 2-[[3-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]phenoxy]methyl]pyridine (CID 77097732) is 2-[[3-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]phenoxy]methyl]pyridine.
What is the SMILES notation for 2-[[3-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]phenoxy]methyl]pyridine?
The canonical SMILES for 2-[[3-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]phenoxy]methyl]pyridine is COc1cccc(OC2CN(Cc3cccc(OCc4ccccn4)c3)C2)c1.
What is the InChIKey of 2-[[3-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]phenoxy]methyl]pyridine?
The InChIKey is FXZIBQOCQJKZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-26-20-8-5-10-22(13-20)28-23-15-25(16-23)14-18-6-4-9-21(12-18)27-17-19-7-2-3-11-24-19/h2-13,23H,14-17H2,1H3.
What are the key properties of 2-[[3-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]phenoxy]methyl]pyridine?
2-[[3-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]phenoxy]methyl]pyridine has a molecular weight of 376.46 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]phenoxy]methyl]pyridine is sourced from PubChem (CID 77097732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).