2-(4-tert-butyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine

C24H22N4 — CID 15827510

IUPAC2-(4-tert-butyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
SMILESCC(C)(C)c1ccnc(-c2cccc(-c3cccc(-c4ccccn4)n3)n2)c1
InChIInChI=1S/C24H22N4/c1-24(2,3)17-13-15-26-23(16-17)22-12-7-11-21(28-22)20-10-6-9-19(27-20)18-8-4-5-14-25-18/h4-16H,1-3H3
InChIKeyACHMNUHTOBTDOW-UHFFFAOYSA-N
MW366.47 g/mol
LogP5.57
Rot. Bonds3

About 2-(4-tert-butyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine

2-(4-tert-butyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine (PubChem CID 15827510) has the molecular formula C24H22N4 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine.

Molecular Properties

Compound Name2-(4-tert-butyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
PubChem CID15827510
Molecular FormulaC24H22N4
Molecular Weight366.47 g/mol
Exact Mass366.18
IUPAC Name2-(4-tert-butyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
SMILESCC(C)(C)c1ccnc(-c2cccc(-c3cccc(-c4ccccn4)n3)n2)c1
InChIInChI=1S/C24H22N4/c1-24(2,3)17-13-15-26-23(16-17)22-12-7-11-21(28-22)20-10-6-9-19(27-20)18-8-4-5-14-25-18/h4-16H,1-3H3
InChIKeyACHMNUHTOBTDOW-UHFFFAOYSA-N
XLogP5.57
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine?
The IUPAC name of 2-(4-tert-butyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine (CID 15827510) is 2-(4-tert-butyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine.
What is the SMILES notation for 2-(4-tert-butyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine?
The canonical SMILES for 2-(4-tert-butyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine is CC(C)(C)c1ccnc(-c2cccc(-c3cccc(-c4ccccn4)n3)n2)c1.
What is the InChIKey of 2-(4-tert-butyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine?
The InChIKey is ACHMNUHTOBTDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4/c1-24(2,3)17-13-15-26-23(16-17)22-12-7-11-21(28-22)20-10-6-9-19(27-20)18-8-4-5-14-25-18/h4-16H,1-3H3.
What are the key properties of 2-(4-tert-butyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine?
2-(4-tert-butyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine has a molecular weight of 366.47 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine is sourced from PubChem (CID 15827510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).