N-[3-[6-(4-chloro-6-ethyl-3-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine

C24H27ClN4O — CID 123623329

About N-[3-[6-(4-chloro-6-ethyl-3-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine

N-[3-[6-(4-chloro-6-ethyl-3-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine (PubChem CID 123623329) has the molecular formula C24H27ClN4O and a molecular weight of 422.96 g/mol. Its IUPAC name is N-[3-[6-(4-chloro-6-ethyl-3-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine.

Molecular Properties

• Compound Name: N-[3-[6-(4-chloro-6-ethyl-3-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
• PubChem CID: 123623329
• Molecular Formula: C24H27ClN4O
• Molecular Weight: 422.96 g/mol
• Exact Mass: 422.19
• IUPAC Name: N-[3-[6-(4-chloro-6-ethyl-3-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
• SMILES: CCc1cc(Cl)c(C)c(-c2cccc(CCCON=C(C)c3cccc(C)n3)n2)n1
• InChI: InChI=1S/C24H27ClN4O/c1-5-19-15-21(25)17(3)24(28-19)23-13-7-10-20(27-23)11-8-14-30-29-18(4)22-12-6-9-16(2)26-22/h6-7,9-10,12-13,15H,5,8,11,14H2,1-4H3
• InChIKey: HWRJOKNVBIMMDA-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 60.26 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.96
LogP ≤ 5	5.74
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-(4-chloro-6-ethyl-3-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine?

The IUPAC name of N-[3-[6-(4-chloro-6-ethyl-3-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine (CID 123623329) is N-[3-[6-(4-chloro-6-ethyl-3-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine.

What is the SMILES notation for N-[3-[6-(4-chloro-6-ethyl-3-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine?

The canonical SMILES for N-[3-[6-(4-chloro-6-ethyl-3-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine is CCc1cc(Cl)c(C)c(-c2cccc(CCCON=C(C)c3cccc(C)n3)n2)n1.

What is the InChIKey of N-[3-[6-(4-chloro-6-ethyl-3-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine?

The InChIKey is HWRJOKNVBIMMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O/c1-5-19-15-21(25)17(3)24(28-19)23-13-7-10-20(27-23)11-8-14-30-29-18(4)22-12-6-9-16(2)26-22/h6-7,9-10,12-13,15H,5,8,11,14H2,1-4H3.

What are the key properties of N-[3-[6-(4-chloro-6-ethyl-3-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine?

N-[3-[6-(4-chloro-6-ethyl-3-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine has a molecular weight of 422.96 g/mol, XLogP of 5.74, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[6-(4-chloro-6-ethyl-3-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine is sourced from PubChem (CID 123623329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).