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

C25H23N3O — CID 5231845

IUPAC4-(4-butoxyphenyl)-2,6-dipyridin-4-ylpyridine
SMILESCCCCOc1ccc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)cc1
InChIInChI=1S/C25H23N3O/c1-2-3-16-29-23-6-4-19(5-7-23)22-17-24(20-8-12-26-13-9-20)28-25(18-22)21-10-14-27-15-11-21/h4-15,17-18H,2-3,16H2,1H3
InChIKeyHKHGOKCRLWNIPT-UHFFFAOYSA-N
MW381.48 g/mol
LogP6.05
Rot. Bonds7

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

4-(4-butoxyphenyl)-2,6-dipyridin-4-ylpyridine (PubChem CID 5231845) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-(4-butoxyphenyl)-2,6-dipyridin-4-ylpyridine.

Molecular Properties

Compound Name4-(4-butoxyphenyl)-2,6-dipyridin-4-ylpyridine
PubChem CID5231845
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Name4-(4-butoxyphenyl)-2,6-dipyridin-4-ylpyridine
SMILESCCCCOc1ccc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)cc1
InChIInChI=1S/C25H23N3O/c1-2-3-16-29-23-6-4-19(5-7-23)22-17-24(20-8-12-26-13-9-20)28-25(18-22)21-10-14-27-15-11-21/h4-15,17-18H,2-3,16H2,1H3
InChIKeyHKHGOKCRLWNIPT-UHFFFAOYSA-N
XLogP6.05
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 10287639
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3-(6-Ethoxynaphthalen-2-yl)pyridine
CID 11557864
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Frequently Asked Questions

What is the IUPAC name of 4-(4-butoxyphenyl)-2,6-dipyridin-4-ylpyridine?
The IUPAC name of 4-(4-butoxyphenyl)-2,6-dipyridin-4-ylpyridine (CID 5231845) is 4-(4-butoxyphenyl)-2,6-dipyridin-4-ylpyridine.
What is the SMILES notation for 4-(4-butoxyphenyl)-2,6-dipyridin-4-ylpyridine?
The canonical SMILES for 4-(4-butoxyphenyl)-2,6-dipyridin-4-ylpyridine is CCCCOc1ccc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)cc1.
What is the InChIKey of 4-(4-butoxyphenyl)-2,6-dipyridin-4-ylpyridine?
The InChIKey is HKHGOKCRLWNIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O/c1-2-3-16-29-23-6-4-19(5-7-23)22-17-24(20-8-12-26-13-9-20)28-25(18-22)21-10-14-27-15-11-21/h4-15,17-18H,2-3,16H2,1H3.
What are the key properties of 4-(4-butoxyphenyl)-2,6-dipyridin-4-ylpyridine?
4-(4-butoxyphenyl)-2,6-dipyridin-4-ylpyridine has a molecular weight of 381.48 g/mol, XLogP of 6.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butoxyphenyl)-2,6-dipyridin-4-ylpyridine is sourced from PubChem (CID 5231845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).