4-(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridine

C22H17N3O — CID 630929

IUPAC4-(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridine
SMILESCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C22H17N3O/c1-26-18-10-8-16(9-11-18)17-14-21(19-6-2-4-12-23-19)25-22(15-17)20-7-3-5-13-24-20/h2-15H,1H3
InChIKeyQAEWAYWLMREGRA-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.88
Rot. Bonds4

About 4-(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridine

4-(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridine (PubChem CID 630929) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridine
PubChem CID630929
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name4-(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridine
SMILESCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C22H17N3O/c1-26-18-10-8-16(9-11-18)17-14-21(19-6-2-4-12-23-19)25-22(15-17)20-7-3-5-13-24-20/h2-15H,1H3
InChIKeyQAEWAYWLMREGRA-UHFFFAOYSA-N
XLogP4.88
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridine (CID 630929) is 4-(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridine is COc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridine?
The InChIKey is QAEWAYWLMREGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c1-26-18-10-8-16(9-11-18)17-14-21(19-6-2-4-12-23-19)25-22(15-17)20-7-3-5-13-24-20/h2-15H,1H3.
What are the key properties of 4-(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridine?
4-(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridine has a molecular weight of 339.40 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 630929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).