N-[3-[6-(6-ethyl-3-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine

C24H28N4O — CID 123395455

About N-[3-[6-(6-ethyl-3-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine

N-[3-[6-(6-ethyl-3-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine (PubChem CID 123395455) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-[3-[6-(6-ethyl-3-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine.

Molecular Properties

• Compound Name: N-[3-[6-(6-ethyl-3-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
• PubChem CID: 123395455
• Molecular Formula: C24H28N4O
• Molecular Weight: 388.52 g/mol
• Exact Mass: 388.23
• IUPAC Name: N-[3-[6-(6-ethyl-3-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
• SMILES: CCc1ccc(C)c(-c2cccc(CCCON=C(C)c3cccc(C)n3)n2)n1
• InChI: InChI=1S/C24H28N4O/c1-5-20-15-14-17(2)24(27-20)23-13-7-10-21(26-23)11-8-16-29-28-19(4)22-12-6-9-18(3)25-22/h6-7,9-10,12-15H,5,8,11,16H2,1-4H3
• InChIKey: BPERTJGFESFYPD-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 60.26 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	388.52
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(6-ethyl-3-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine?

The IUPAC name of N-[3-[6-(6-ethyl-3-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine (CID 123395455) is N-[3-[6-(6-ethyl-3-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine.

What is the SMILES notation for N-[3-[6-(6-ethyl-3-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine?

The canonical SMILES for N-[3-[6-(6-ethyl-3-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine is CCc1ccc(C)c(-c2cccc(CCCON=C(C)c3cccc(C)n3)n2)n1.

What is the InChIKey of N-[3-[6-(6-ethyl-3-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine?

The InChIKey is BPERTJGFESFYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-5-20-15-14-17(2)24(27-20)23-13-7-10-21(26-23)11-8-16-29-28-19(4)22-12-6-9-18(3)25-22/h6-7,9-10,12-15H,5,8,11,16H2,1-4H3.

What are the key properties of N-[3-[6-(6-ethyl-3-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine?

N-[3-[6-(6-ethyl-3-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine has a molecular weight of 388.52 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[6-(6-ethyl-3-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine is sourced from PubChem (CID 123395455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).