3-methyl-2-[[4-(2-pyridin-4-ylphenyl)phenoxy]methyl]pyridine

C24H20N2O — CID 67026425

IUPAC3-methyl-2-[[4-(2-pyridin-4-ylphenyl)phenoxy]methyl]pyridine
SMILESCc1cccnc1COc1ccc(-c2ccccc2-c2ccncc2)cc1
InChIInChI=1S/C24H20N2O/c1-18-5-4-14-26-24(18)17-27-21-10-8-19(9-11-21)22-6-2-3-7-23(22)20-12-15-25-16-13-20/h2-16H,17H2,1H3
InChIKeyHZOOIUMOFLBJSI-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.70
Rot. Bonds5

About 3-methyl-2-[[4-(2-pyridin-4-ylphenyl)phenoxy]methyl]pyridine

3-methyl-2-[[4-(2-pyridin-4-ylphenyl)phenoxy]methyl]pyridine (PubChem CID 67026425) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-methyl-2-[[4-(2-pyridin-4-ylphenyl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name3-methyl-2-[[4-(2-pyridin-4-ylphenyl)phenoxy]methyl]pyridine
PubChem CID67026425
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name3-methyl-2-[[4-(2-pyridin-4-ylphenyl)phenoxy]methyl]pyridine
SMILESCc1cccnc1COc1ccc(-c2ccccc2-c2ccncc2)cc1
InChIInChI=1S/C24H20N2O/c1-18-5-4-14-26-24(18)17-27-21-10-8-19(9-11-21)22-6-2-3-7-23(22)20-12-15-25-16-13-20/h2-16H,17H2,1H3
InChIKeyHZOOIUMOFLBJSI-UHFFFAOYSA-N
XLogP5.70
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-[[4-(2-pyridin-4-ylphenyl)phenoxy]methyl]pyridine
CID 67026641
2-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]acetonitrile
CID 112650342
3-methyl-2-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]methyl]pyridine
CID 115981883
4-[2-(4-methoxyphenyl)phenyl]pyridine
CID 173342516
3-methyl-2-[(3-methyl-2-pyridinyl)methoxymethyl]pyridine
CID 142776988
1-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-ol
CID 112650663
2-methyl-N-[[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
CID 115981790
[2-[(4-methylphenoxy)methyl]-3-pyridinyl]methanamine
CID 105485819
4-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-ol
CID 115982097
4-(2-methylphenyl)pyridine;hydroiodide
CID 175234022
[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]methanol
CID 112650634
N-ethyl-1-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 115981835

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[4-(2-pyridin-4-ylphenyl)phenoxy]methyl]pyridine?
The IUPAC name of 3-methyl-2-[[4-(2-pyridin-4-ylphenyl)phenoxy]methyl]pyridine (CID 67026425) is 3-methyl-2-[[4-(2-pyridin-4-ylphenyl)phenoxy]methyl]pyridine.
What is the SMILES notation for 3-methyl-2-[[4-(2-pyridin-4-ylphenyl)phenoxy]methyl]pyridine?
The canonical SMILES for 3-methyl-2-[[4-(2-pyridin-4-ylphenyl)phenoxy]methyl]pyridine is Cc1cccnc1COc1ccc(-c2ccccc2-c2ccncc2)cc1.
What is the InChIKey of 3-methyl-2-[[4-(2-pyridin-4-ylphenyl)phenoxy]methyl]pyridine?
The InChIKey is HZOOIUMOFLBJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c1-18-5-4-14-26-24(18)17-27-21-10-8-19(9-11-21)22-6-2-3-7-23(22)20-12-15-25-16-13-20/h2-16H,17H2,1H3.
What are the key properties of 3-methyl-2-[[4-(2-pyridin-4-ylphenyl)phenoxy]methyl]pyridine?
3-methyl-2-[[4-(2-pyridin-4-ylphenyl)phenoxy]methyl]pyridine has a molecular weight of 352.44 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[4-(2-pyridin-4-ylphenyl)phenoxy]methyl]pyridine is sourced from PubChem (CID 67026425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).