4-[[2,4,6-trimethyl-3-(pyridin-4-ylmethyl)phenyl]methyl]pyridine

C21H22N2 — CID 118040317

IUPAC4-[[2,4,6-trimethyl-3-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
SMILESCc1cc(C)c(Cc2ccncc2)c(C)c1Cc1ccncc1
InChIInChI=1S/C21H22N2/c1-15-12-16(2)21(14-19-6-10-23-11-7-19)17(3)20(15)13-18-4-8-22-9-5-18/h4-12H,13-14H2,1-3H3
InChIKeyKNGUTJAUDYHCQH-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.58
Rot. Bonds4

About 4-[[2,4,6-trimethyl-3-(pyridin-4-ylmethyl)phenyl]methyl]pyridine

4-[[2,4,6-trimethyl-3-(pyridin-4-ylmethyl)phenyl]methyl]pyridine (PubChem CID 118040317) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-[[2,4,6-trimethyl-3-(pyridin-4-ylmethyl)phenyl]methyl]pyridine.

Molecular Properties

Compound Name4-[[2,4,6-trimethyl-3-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
PubChem CID118040317
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC Name4-[[2,4,6-trimethyl-3-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
SMILESCc1cc(C)c(Cc2ccncc2)c(C)c1Cc1ccncc1
InChIInChI=1S/C21H22N2/c1-15-12-16(2)21(14-19-6-10-23-11-7-19)17(3)20(15)13-18-4-8-22-9-5-18/h4-12H,13-14H2,1-3H3
InChIKeyKNGUTJAUDYHCQH-UHFFFAOYSA-N
XLogP4.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[2,4,6-trimethyl-3-(pyridin-4-ylmethyl)phenyl]methyl]pyridine?
The IUPAC name of 4-[[2,4,6-trimethyl-3-(pyridin-4-ylmethyl)phenyl]methyl]pyridine (CID 118040317) is 4-[[2,4,6-trimethyl-3-(pyridin-4-ylmethyl)phenyl]methyl]pyridine.
What is the SMILES notation for 4-[[2,4,6-trimethyl-3-(pyridin-4-ylmethyl)phenyl]methyl]pyridine?
The canonical SMILES for 4-[[2,4,6-trimethyl-3-(pyridin-4-ylmethyl)phenyl]methyl]pyridine is Cc1cc(C)c(Cc2ccncc2)c(C)c1Cc1ccncc1.
What is the InChIKey of 4-[[2,4,6-trimethyl-3-(pyridin-4-ylmethyl)phenyl]methyl]pyridine?
The InChIKey is KNGUTJAUDYHCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c1-15-12-16(2)21(14-19-6-10-23-11-7-19)17(3)20(15)13-18-4-8-22-9-5-18/h4-12H,13-14H2,1-3H3.
What are the key properties of 4-[[2,4,6-trimethyl-3-(pyridin-4-ylmethyl)phenyl]methyl]pyridine?
4-[[2,4,6-trimethyl-3-(pyridin-4-ylmethyl)phenyl]methyl]pyridine has a molecular weight of 302.42 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,4,6-trimethyl-3-(pyridin-4-ylmethyl)phenyl]methyl]pyridine is sourced from PubChem (CID 118040317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).