4-(2,6-dipyridin-2-yl-4-pyridinyl)aniline

C21H16N4 — CID 10860314

IUPAC4-(2,6-dipyridin-2-yl-4-pyridinyl)aniline
SMILESNc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C21H16N4/c22-17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-23-18)25-21(14-16)19-6-2-4-12-24-19/h1-14H,22H2
InChIKeyCYISWQZYBSHTNN-UHFFFAOYSA-N
MW324.39 g/mol
LogP4.45
Rot. Bonds3

About 4-(2,6-dipyridin-2-yl-4-pyridinyl)aniline

4-(2,6-dipyridin-2-yl-4-pyridinyl)aniline (PubChem CID 10860314) has the molecular formula C21H16N4 and a molecular weight of 324.39 g/mol. Its IUPAC name is 4-(2,6-dipyridin-2-yl-4-pyridinyl)aniline.

Molecular Properties

Compound Name4-(2,6-dipyridin-2-yl-4-pyridinyl)aniline
PubChem CID10860314
Molecular FormulaC21H16N4
Molecular Weight324.39 g/mol
Exact Mass324.14
IUPAC Name4-(2,6-dipyridin-2-yl-4-pyridinyl)aniline
SMILESNc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C21H16N4/c22-17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-23-18)25-21(14-16)19-6-2-4-12-24-19/h1-14H,22H2
InChIKeyCYISWQZYBSHTNN-UHFFFAOYSA-N
XLogP4.45
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dipyridin-2-yl-4-pyridinyl)aniline?
The IUPAC name of 4-(2,6-dipyridin-2-yl-4-pyridinyl)aniline (CID 10860314) is 4-(2,6-dipyridin-2-yl-4-pyridinyl)aniline.
What is the SMILES notation for 4-(2,6-dipyridin-2-yl-4-pyridinyl)aniline?
The canonical SMILES for 4-(2,6-dipyridin-2-yl-4-pyridinyl)aniline is Nc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.
What is the InChIKey of 4-(2,6-dipyridin-2-yl-4-pyridinyl)aniline?
The InChIKey is CYISWQZYBSHTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4/c22-17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-23-18)25-21(14-16)19-6-2-4-12-24-19/h1-14H,22H2.
What are the key properties of 4-(2,6-dipyridin-2-yl-4-pyridinyl)aniline?
4-(2,6-dipyridin-2-yl-4-pyridinyl)aniline has a molecular weight of 324.39 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dipyridin-2-yl-4-pyridinyl)aniline is sourced from PubChem (CID 10860314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).