2-[2-methoxy-4-(1-pyridin-3-ylpentyl)phenoxy]pyridine

C22H24N2O2 — CID 25179284

IUPAC2-[2-methoxy-4-(1-pyridin-3-ylpentyl)phenoxy]pyridine
SMILESCCCCC(c1cccnc1)c1ccc(Oc2ccccn2)c(OC)c1
InChIInChI=1S/C22H24N2O2/c1-3-4-9-19(18-8-7-13-23-16-18)17-11-12-20(21(15-17)25-2)26-22-10-5-6-14-24-22/h5-8,10-16,19H,3-4,9H2,1-2H3
InChIKeyATPRVJWCGOUUJK-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.60
Rot. Bonds8

About 2-[2-methoxy-4-(1-pyridin-3-ylpentyl)phenoxy]pyridine

2-[2-methoxy-4-(1-pyridin-3-ylpentyl)phenoxy]pyridine (PubChem CID 25179284) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[2-methoxy-4-(1-pyridin-3-ylpentyl)phenoxy]pyridine.

Molecular Properties

Compound Name2-[2-methoxy-4-(1-pyridin-3-ylpentyl)phenoxy]pyridine
PubChem CID25179284
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-[2-methoxy-4-(1-pyridin-3-ylpentyl)phenoxy]pyridine
SMILESCCCCC(c1cccnc1)c1ccc(Oc2ccccn2)c(OC)c1
InChIInChI=1S/C22H24N2O2/c1-3-4-9-19(18-8-7-13-23-16-18)17-11-12-20(21(15-17)25-2)26-22-10-5-6-14-24-22/h5-8,10-16,19H,3-4,9H2,1-2H3
InChIKeyATPRVJWCGOUUJK-UHFFFAOYSA-N
XLogP5.60
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-(1-pyridin-3-ylpentyl)phenoxy]pyridine?
The IUPAC name of 2-[2-methoxy-4-(1-pyridin-3-ylpentyl)phenoxy]pyridine (CID 25179284) is 2-[2-methoxy-4-(1-pyridin-3-ylpentyl)phenoxy]pyridine.
What is the SMILES notation for 2-[2-methoxy-4-(1-pyridin-3-ylpentyl)phenoxy]pyridine?
The canonical SMILES for 2-[2-methoxy-4-(1-pyridin-3-ylpentyl)phenoxy]pyridine is CCCCC(c1cccnc1)c1ccc(Oc2ccccn2)c(OC)c1.
What is the InChIKey of 2-[2-methoxy-4-(1-pyridin-3-ylpentyl)phenoxy]pyridine?
The InChIKey is ATPRVJWCGOUUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-3-4-9-19(18-8-7-13-23-16-18)17-11-12-20(21(15-17)25-2)26-22-10-5-6-14-24-22/h5-8,10-16,19H,3-4,9H2,1-2H3.
What are the key properties of 2-[2-methoxy-4-(1-pyridin-3-ylpentyl)phenoxy]pyridine?
2-[2-methoxy-4-(1-pyridin-3-ylpentyl)phenoxy]pyridine has a molecular weight of 348.45 g/mol, XLogP of 5.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-(1-pyridin-3-ylpentyl)phenoxy]pyridine is sourced from PubChem (CID 25179284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).