[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(5-methyl-2-pyridinyl)methanone

C26H28N2O3 — CID 59633916

IUPAC[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(5-methyl-2-pyridinyl)methanone
SMILESCCc1ccc(COc2ccc(C3CN(C(=O)c4ccc(C)cn4)C3)cc2OC)cc1
InChIInChI=1S/C26H28N2O3/c1-4-19-6-8-20(9-7-19)17-31-24-12-10-21(13-25(24)30-3)22-15-28(16-22)26(29)23-11-5-18(2)14-27-23/h5-14,22H,4,15-17H2,1-3H3
InChIKeyJBYCYCIWFZHLSG-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.78
Rot. Bonds7

About [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(5-methyl-2-pyridinyl)methanone

[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(5-methyl-2-pyridinyl)methanone (PubChem CID 59633916) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(5-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(5-methyl-2-pyridinyl)methanone
PubChem CID59633916
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(5-methyl-2-pyridinyl)methanone
SMILESCCc1ccc(COc2ccc(C3CN(C(=O)c4ccc(C)cn4)C3)cc2OC)cc1
InChIInChI=1S/C26H28N2O3/c1-4-19-6-8-20(9-7-19)17-31-24-12-10-21(13-25(24)30-3)22-15-28(16-22)26(29)23-11-5-18(2)14-27-23/h5-14,22H,4,15-17H2,1-3H3
InChIKeyJBYCYCIWFZHLSG-UHFFFAOYSA-N
XLogP4.78
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1,3-dihydroxypropan-2-yl)-2-pyridinyl]-[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]methanone
CID 59634121
(2R,3S)-4-[[2-[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidine-1-carbonyl]-4-pyridinyl]oxy]-2,3-dihydroxybutanoic acid
CID 59634116
methyl 5-[[2-[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidine-1-carbonyl]-4-pyridinyl]oxy]-2,2-dimethylpentanoate
CID 59633995
methyl 2-[(4-ethylphenyl)methoxy]-5-[1-(pyridine-2-carbonyl)azetidin-3-yl]benzoate
CID 59633925
[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]methanone
CID 59634027
[4-[2-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]ethoxy]-2-pyridinyl]-[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]methanone;2-[[2-[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidine-1-carbonyl]-4-pyridinyl]oxy]ethyl methanesulfonate
CID 159198097
[3-[4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-[4-(3-hydroxypropyl)-2-pyridinyl]methanone
CID 59633920
[3-[4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-[4-[4-hydroxy-3-(hydroxymethyl)butoxy]-2-pyridinyl]methanone
CID 59634117
4-[[2-[3-[4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl]azetidine-1-carbonyl]-4-pyridinyl]oxy]-3-hydroxybutanoic acid
CID 59634058
[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]-3-hydroxyazetidin-1-yl]-pyridin-2-ylmethanone
CID 59634109
(3,4-dimethoxyphenyl)-[4-(4-ethylphenyl)piperidin-1-yl]methanone
CID 70598788
2-[9-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]acetate
CID 6958996

Frequently Asked Questions

What is the IUPAC name of [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(5-methyl-2-pyridinyl)methanone?
The IUPAC name of [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(5-methyl-2-pyridinyl)methanone (CID 59633916) is [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(5-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(5-methyl-2-pyridinyl)methanone?
The canonical SMILES for [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(5-methyl-2-pyridinyl)methanone is CCc1ccc(COc2ccc(C3CN(C(=O)c4ccc(C)cn4)C3)cc2OC)cc1.
What is the InChIKey of [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(5-methyl-2-pyridinyl)methanone?
The InChIKey is JBYCYCIWFZHLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-4-19-6-8-20(9-7-19)17-31-24-12-10-21(13-25(24)30-3)22-15-28(16-22)26(29)23-11-5-18(2)14-27-23/h5-14,22H,4,15-17H2,1-3H3.
What are the key properties of [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(5-methyl-2-pyridinyl)methanone?
[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(5-methyl-2-pyridinyl)methanone has a molecular weight of 416.52 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(5-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 59633916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).