[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]-3-hydroxyazetidin-1-yl]-pyridin-2-ylmethanone

C25H26N2O4 — CID 59634109

IUPAC[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]-3-hydroxyazetidin-1-yl]-pyridin-2-ylmethanone
SMILESCCc1ccc(COc2ccc(C3(O)CN(C(=O)c4ccccn4)C3)cc2OC)cc1
InChIInChI=1S/C25H26N2O4/c1-3-18-7-9-19(10-8-18)15-31-22-12-11-20(14-23(22)30-2)25(29)16-27(17-25)24(28)21-6-4-5-13-26-21/h4-14,29H,3,15-17H2,1-2H3
InChIKeyUXLKANZUXQWTGU-UHFFFAOYSA-N
MW418.49 g/mol
LogP3.58
Rot. Bonds7

About [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]-3-hydroxyazetidin-1-yl]-pyridin-2-ylmethanone

[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]-3-hydroxyazetidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 59634109) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]-3-hydroxyazetidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]-3-hydroxyazetidin-1-yl]-pyridin-2-ylmethanone
PubChem CID59634109
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]-3-hydroxyazetidin-1-yl]-pyridin-2-ylmethanone
SMILESCCc1ccc(COc2ccc(C3(O)CN(C(=O)c4ccccn4)C3)cc2OC)cc1
InChIInChI=1S/C25H26N2O4/c1-3-18-7-9-19(10-8-18)15-31-22-12-11-20(14-23(22)30-2)25(29)16-27(17-25)24(28)21-6-4-5-13-26-21/h4-14,29H,3,15-17H2,1-2H3
InChIKeyUXLKANZUXQWTGU-UHFFFAOYSA-N
XLogP3.58
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-{4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl}azetidin-1-yl)(4-{[(2S)-2,3-dihydroxypropoxy]methyl}pyridin-2-yl)methanone
CID 49806372
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2-carboxamide
CID 9119439
4-[2-(2-{3-[4-(4-Ethylbenzyloxy)-3-methoxyphenyl]-azetidine-1-carbonyl}pyridin-4-yloxy)ethyl]piperazin-2-one
CID 49805872
{4-[2-((3R,4R)-3,4-Dihydroxypyrrolidin-1-yl)ethoxy]-pyridin-2-yl}-{3-[4-(4-ethylbenzyloxy)-3-methoxyphenyl]-azetidin-1-yl}-methanone
CID 49805873
[3-[4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-[4-[[(2R)-2,3-dihydroxypropoxy]methyl]-2-pyridinyl]methanone
CID 49805998
[3-[4-[(4-Cyclopropylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-[4-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]methanone
CID 49805999
[3-[3-Methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]azetidin-1-yl]-[4-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]methanone
CID 49806001
{3-[4-(4-Cyclopropylbenzyloxy)-3-methoxyphenyl]-azetidin-1-yl}-[4-(3-hydroxy-2,2-bis-hydroxymethylpropoxy-methyl)pyridin-2-yl]-methanone
CID 49806002
[3-[4-[(4-Ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-[4-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-pyridinyl]methanone
CID 49806125
[4-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethoxy]-2-pyridinyl]-[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]methanone
CID 49806128
{3-[4-(4-Cyclopropylbenzyloxy)-3-methoxyphenyl]-azetidin-1-yl}-[4-((R)-2,3-dihydroxypropoxy)pyridin-2-yl]-methanone
CID 49806253
[3-[4-[(4-Ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-pyridin-2-ylmethanone
CID 59633910

Frequently Asked Questions

What is the IUPAC name of [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]-3-hydroxyazetidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]-3-hydroxyazetidin-1-yl]-pyridin-2-ylmethanone (CID 59634109) is [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]-3-hydroxyazetidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]-3-hydroxyazetidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]-3-hydroxyazetidin-1-yl]-pyridin-2-ylmethanone is CCc1ccc(COc2ccc(C3(O)CN(C(=O)c4ccccn4)C3)cc2OC)cc1.
What is the InChIKey of [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]-3-hydroxyazetidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is UXLKANZUXQWTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-3-18-7-9-19(10-8-18)15-31-22-12-11-20(14-23(22)30-2)25(29)16-27(17-25)24(28)21-6-4-5-13-26-21/h4-14,29H,3,15-17H2,1-2H3.
What are the key properties of [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]-3-hydroxyazetidin-1-yl]-pyridin-2-ylmethanone?
[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]-3-hydroxyazetidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 418.49 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]-3-hydroxyazetidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 59634109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).