2,4-dimethyl-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-N-[3-(4-trimethylsilyl-2-pyridinyl)phenyl]pyridin-3-amine

C39H38N4Si — CID 140908764

About 2,4-dimethyl-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-N-[3-(4-trimethylsilyl-2-pyridinyl)phenyl]pyridin-3-amine

2,4-dimethyl-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-N-[3-(4-trimethylsilyl-2-pyridinyl)phenyl]pyridin-3-amine (PubChem CID 140908764) has the molecular formula C39H38N4Si and a molecular weight of 590.85 g/mol. Its IUPAC name is 2,4-dimethyl-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-N-[3-(4-trimethylsilyl-2-pyridinyl)phenyl]pyridin-3-amine.

Molecular Properties

• Compound Name: 2,4-dimethyl-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-N-[3-(4-trimethylsilyl-2-pyridinyl)phenyl]pyridin-3-amine
• PubChem CID: 140908764
• Molecular Formula: C39H38N4Si
• Molecular Weight: 590.85 g/mol
• Exact Mass: 590.29
• IUPAC Name: 2,4-dimethyl-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-N-[3-(4-trimethylsilyl-2-pyridinyl)phenyl]pyridin-3-amine
• SMILES: Cc1cnc(-c2cccc(N(c3cccc(-c4cc([Si](C)(C)C)ccn4)c3)c3c(C)ccnc3C)c2)cc1-c1ccccc1
• InChI: InChI=1S/C39H38N4Si/c1-27-18-20-40-29(3)39(27)43(33-16-10-14-31(22-33)37-24-35(19-21-41-37)44(4,5)6)34-17-11-15-32(23-34)38-25-36(28(2)26-42-38)30-12-8-7-9-13-30/h7-26H,1-6H3
• InChIKey: ILESHZYZXGERRC-UHFFFAOYSA-N
• XLogP: 9.81
• TPSA: 41.91 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.85
LogP ≤ 5	9.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-N-[3-(4-trimethylsilyl-2-pyridinyl)phenyl]pyridin-3-amine?

The IUPAC name of 2,4-dimethyl-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-N-[3-(4-trimethylsilyl-2-pyridinyl)phenyl]pyridin-3-amine (CID 140908764) is 2,4-dimethyl-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-N-[3-(4-trimethylsilyl-2-pyridinyl)phenyl]pyridin-3-amine.

What is the SMILES notation for 2,4-dimethyl-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-N-[3-(4-trimethylsilyl-2-pyridinyl)phenyl]pyridin-3-amine?

The canonical SMILES for 2,4-dimethyl-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-N-[3-(4-trimethylsilyl-2-pyridinyl)phenyl]pyridin-3-amine is Cc1cnc(-c2cccc(N(c3cccc(-c4cc([Si](C)(C)C)ccn4)c3)c3c(C)ccnc3C)c2)cc1-c1ccccc1.

What is the InChIKey of 2,4-dimethyl-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-N-[3-(4-trimethylsilyl-2-pyridinyl)phenyl]pyridin-3-amine?

The InChIKey is ILESHZYZXGERRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H38N4Si/c1-27-18-20-40-29(3)39(27)43(33-16-10-14-31(22-33)37-24-35(19-21-41-37)44(4,5)6)34-17-11-15-32(23-34)38-25-36(28(2)26-42-38)30-12-8-7-9-13-30/h7-26H,1-6H3.

What are the key properties of 2,4-dimethyl-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-N-[3-(4-trimethylsilyl-2-pyridinyl)phenyl]pyridin-3-amine?

2,4-dimethyl-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-N-[3-(4-trimethylsilyl-2-pyridinyl)phenyl]pyridin-3-amine has a molecular weight of 590.85 g/mol, XLogP of 9.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-N-[3-(4-trimethylsilyl-2-pyridinyl)phenyl]pyridin-3-amine is sourced from PubChem (CID 140908764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).