3-methyl-N-(3-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylaniline

C24H21N3 — CID 90070790

IUPAC3-methyl-N-(3-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylaniline
SMILESCc1cc(Nc2cc(C)cc(-c3ccccn3)c2)cc(-c2ccccn2)c1
InChIInChI=1S/C24H21N3/c1-17-11-19(23-7-3-5-9-25-23)15-21(13-17)27-22-14-18(2)12-20(16-22)24-8-4-6-10-26-24/h3-16,27H,1-2H3
InChIKeyOZSLTBSZFCBTAB-UHFFFAOYSA-N
MW351.45 g/mol
LogP6.17
Rot. Bonds4

About 3-methyl-N-(3-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylaniline

3-methyl-N-(3-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylaniline (PubChem CID 90070790) has the molecular formula C24H21N3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-methyl-N-(3-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylaniline.

Molecular Properties

Compound Name3-methyl-N-(3-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylaniline
PubChem CID90070790
Molecular FormulaC24H21N3
Molecular Weight351.45 g/mol
Exact Mass351.17
IUPAC Name3-methyl-N-(3-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylaniline
SMILESCc1cc(Nc2cc(C)cc(-c3ccccn3)c2)cc(-c2ccccn2)c1
InChIInChI=1S/C24H21N3/c1-17-11-19(23-7-3-5-9-25-23)15-21(13-17)27-22-14-18(2)12-20(16-22)24-8-4-6-10-26-24/h3-16,27H,1-2H3
InChIKeyOZSLTBSZFCBTAB-UHFFFAOYSA-N
XLogP6.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylaniline?
The IUPAC name of 3-methyl-N-(3-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylaniline (CID 90070790) is 3-methyl-N-(3-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylaniline.
What is the SMILES notation for 3-methyl-N-(3-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylaniline?
The canonical SMILES for 3-methyl-N-(3-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylaniline is Cc1cc(Nc2cc(C)cc(-c3ccccn3)c2)cc(-c2ccccn2)c1.
What is the InChIKey of 3-methyl-N-(3-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylaniline?
The InChIKey is OZSLTBSZFCBTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3/c1-17-11-19(23-7-3-5-9-25-23)15-21(13-17)27-22-14-18(2)12-20(16-22)24-8-4-6-10-26-24/h3-16,27H,1-2H3.
What are the key properties of 3-methyl-N-(3-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylaniline?
3-methyl-N-(3-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylaniline has a molecular weight of 351.45 g/mol, XLogP of 6.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylaniline is sourced from PubChem (CID 90070790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).