4-hexadecoxy-2,6-dipyridin-2-ylpyridine

C31H43N3O — CID 14879097

IUPAC4-hexadecoxy-2,6-dipyridin-2-ylpyridine
SMILESCCCCCCCCCCCCCCCCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1
InChIInChI=1S/C31H43N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24-35-27-25-30(28-20-15-17-22-32-28)34-31(26-27)29-21-16-18-23-33-29/h15-18,20-23,25-26H,2-14,19,24H2,1H3
InChIKeyHASOOAIIAGBSJM-UHFFFAOYSA-N
MW473.71 g/mol
LogP9.07
Rot. Bonds18

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

4-hexadecoxy-2,6-dipyridin-2-ylpyridine (PubChem CID 14879097) has the molecular formula C31H43N3O and a molecular weight of 473.71 g/mol. Its IUPAC name is 4-hexadecoxy-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-hexadecoxy-2,6-dipyridin-2-ylpyridine
PubChem CID14879097
Molecular FormulaC31H43N3O
Molecular Weight473.71 g/mol
Exact Mass473.34
IUPAC Name4-hexadecoxy-2,6-dipyridin-2-ylpyridine
SMILESCCCCCCCCCCCCCCCCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1
InChIInChI=1S/C31H43N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24-35-27-25-30(28-20-15-17-22-32-28)34-31(26-27)29-21-16-18-23-33-29/h15-18,20-23,25-26H,2-14,19,24H2,1H3
InChIKeyHASOOAIIAGBSJM-UHFFFAOYSA-N
XLogP9.07
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.71
LogP ≤ 59.07
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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Frequently Asked Questions

What is the IUPAC name of 4-hexadecoxy-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-hexadecoxy-2,6-dipyridin-2-ylpyridine (CID 14879097) is 4-hexadecoxy-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-hexadecoxy-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-hexadecoxy-2,6-dipyridin-2-ylpyridine is CCCCCCCCCCCCCCCCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1.
What is the InChIKey of 4-hexadecoxy-2,6-dipyridin-2-ylpyridine?
The InChIKey is HASOOAIIAGBSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24-35-27-25-30(28-20-15-17-22-32-28)34-31(26-27)29-21-16-18-23-33-29/h15-18,20-23,25-26H,2-14,19,24H2,1H3.
What are the key properties of 4-hexadecoxy-2,6-dipyridin-2-ylpyridine?
4-hexadecoxy-2,6-dipyridin-2-ylpyridine has a molecular weight of 473.71 g/mol, XLogP of 9.07, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexadecoxy-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 14879097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).