4-(tripyridin-4-ylmethyl)pyridine

C21H16N4 — CID 91472743

IUPAC4-(tripyridin-4-ylmethyl)pyridine
SMILESc1cc(C(c2ccncc2)(c2ccncc2)c2ccncc2)ccn1
InChIInChI=1S/C21H16N4/c1-9-22-10-2-17(1)21(18-3-11-23-12-4-18,19-5-13-24-14-6-19)20-7-15-25-16-8-20/h1-16H
InChIKeyIWJRPBSDCRYCNQ-UHFFFAOYSA-N
MW324.39 g/mol
LogP3.65
Rot. Bonds4

About 4-(tripyridin-4-ylmethyl)pyridine

4-(tripyridin-4-ylmethyl)pyridine (PubChem CID 91472743) has the molecular formula C21H16N4 and a molecular weight of 324.39 g/mol. Its IUPAC name is 4-(tripyridin-4-ylmethyl)pyridine.

Molecular Properties

Compound Name4-(tripyridin-4-ylmethyl)pyridine
PubChem CID91472743
Molecular FormulaC21H16N4
Molecular Weight324.39 g/mol
Exact Mass324.14
IUPAC Name4-(tripyridin-4-ylmethyl)pyridine
SMILESc1cc(C(c2ccncc2)(c2ccncc2)c2ccncc2)ccn1
InChIInChI=1S/C21H16N4/c1-9-22-10-2-17(1)21(18-3-11-23-12-4-18,19-5-13-24-14-6-19)20-7-15-25-16-8-20/h1-16H
InChIKeyIWJRPBSDCRYCNQ-UHFFFAOYSA-N
XLogP3.65
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(tripyridin-4-ylmethyl)pyridine?
The IUPAC name of 4-(tripyridin-4-ylmethyl)pyridine (CID 91472743) is 4-(tripyridin-4-ylmethyl)pyridine.
What is the SMILES notation for 4-(tripyridin-4-ylmethyl)pyridine?
The canonical SMILES for 4-(tripyridin-4-ylmethyl)pyridine is c1cc(C(c2ccncc2)(c2ccncc2)c2ccncc2)ccn1.
What is the InChIKey of 4-(tripyridin-4-ylmethyl)pyridine?
The InChIKey is IWJRPBSDCRYCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4/c1-9-22-10-2-17(1)21(18-3-11-23-12-4-18,19-5-13-24-14-6-19)20-7-15-25-16-8-20/h1-16H.
What are the key properties of 4-(tripyridin-4-ylmethyl)pyridine?
4-(tripyridin-4-ylmethyl)pyridine has a molecular weight of 324.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tripyridin-4-ylmethyl)pyridine is sourced from PubChem (CID 91472743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).