4-(2,6-dipyridin-2-yl-4-pyridinyl)-N,N-dimethylaniline

C23H20N4 — CID 11100268

IUPAC4-(2,6-dipyridin-2-yl-4-pyridinyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C23H20N4/c1-27(2)19-11-9-17(10-12-19)18-15-22(20-7-3-5-13-24-20)26-23(16-18)21-8-4-6-14-25-21/h3-16H,1-2H3
InChIKeyPPTBTZUMFUTBOK-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.94
Rot. Bonds4

About 4-(2,6-dipyridin-2-yl-4-pyridinyl)-N,N-dimethylaniline

4-(2,6-dipyridin-2-yl-4-pyridinyl)-N,N-dimethylaniline (PubChem CID 11100268) has the molecular formula C23H20N4 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-(2,6-dipyridin-2-yl-4-pyridinyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(2,6-dipyridin-2-yl-4-pyridinyl)-N,N-dimethylaniline
PubChem CID11100268
Molecular FormulaC23H20N4
Molecular Weight352.44 g/mol
Exact Mass352.17
IUPAC Name4-(2,6-dipyridin-2-yl-4-pyridinyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C23H20N4/c1-27(2)19-11-9-17(10-12-19)18-15-22(20-7-3-5-13-24-20)26-23(16-18)21-8-4-6-14-25-21/h3-16H,1-2H3
InChIKeyPPTBTZUMFUTBOK-UHFFFAOYSA-N
XLogP4.94
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dipyridin-2-yl-4-pyridinyl)-N,N-dimethylaniline?
The IUPAC name of 4-(2,6-dipyridin-2-yl-4-pyridinyl)-N,N-dimethylaniline (CID 11100268) is 4-(2,6-dipyridin-2-yl-4-pyridinyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(2,6-dipyridin-2-yl-4-pyridinyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(2,6-dipyridin-2-yl-4-pyridinyl)-N,N-dimethylaniline is CN(C)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.
What is the InChIKey of 4-(2,6-dipyridin-2-yl-4-pyridinyl)-N,N-dimethylaniline?
The InChIKey is PPTBTZUMFUTBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4/c1-27(2)19-11-9-17(10-12-19)18-15-22(20-7-3-5-13-24-20)26-23(16-18)21-8-4-6-14-25-21/h3-16H,1-2H3.
What are the key properties of 4-(2,6-dipyridin-2-yl-4-pyridinyl)-N,N-dimethylaniline?
4-(2,6-dipyridin-2-yl-4-pyridinyl)-N,N-dimethylaniline has a molecular weight of 352.44 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 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)-N,N-dimethylaniline is sourced from PubChem (CID 11100268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).