4-propoxy-2,6-dipyridin-2-ylpyridine

C18H17N3O — CID 15902132

IUPAC4-propoxy-2,6-dipyridin-2-ylpyridine
SMILESCCCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1
InChIInChI=1S/C18H17N3O/c1-2-11-22-14-12-17(15-7-3-5-9-19-15)21-18(13-14)16-8-4-6-10-20-16/h3-10,12-13H,2,11H2,1H3
InChIKeyNHBKOWLJQBLIAR-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.99
Rot. Bonds5

About 4-propoxy-2,6-dipyridin-2-ylpyridine

4-propoxy-2,6-dipyridin-2-ylpyridine (PubChem CID 15902132) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-propoxy-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-propoxy-2,6-dipyridin-2-ylpyridine
PubChem CID15902132
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name4-propoxy-2,6-dipyridin-2-ylpyridine
SMILESCCCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1
InChIInChI=1S/C18H17N3O/c1-2-11-22-14-12-17(15-7-3-5-9-19-15)21-18(13-14)16-8-4-6-10-20-16/h3-10,12-13H,2,11H2,1H3
InChIKeyNHBKOWLJQBLIAR-UHFFFAOYSA-N
XLogP3.99
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propoxy-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-propoxy-2,6-dipyridin-2-ylpyridine (CID 15902132) is 4-propoxy-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-propoxy-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-propoxy-2,6-dipyridin-2-ylpyridine is CCCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1.
What is the InChIKey of 4-propoxy-2,6-dipyridin-2-ylpyridine?
The InChIKey is NHBKOWLJQBLIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-2-11-22-14-12-17(15-7-3-5-9-19-15)21-18(13-14)16-8-4-6-10-20-16/h3-10,12-13H,2,11H2,1H3.
What are the key properties of 4-propoxy-2,6-dipyridin-2-ylpyridine?
4-propoxy-2,6-dipyridin-2-ylpyridine has a molecular weight of 291.35 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 15902132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).