(E)-N-[3-[6-(4-ethoxy-6-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine

C24H28N4O2 — CID 88587993

IUPAC(E)-N-[3-[6-(4-ethoxy-6-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
SMILESCCOc1cc(C)nc(-c2cccc(CCCO/N=C(\C)c3cccc(C)n3)n2)c1
InChIInChI=1S/C24H28N4O2/c1-5-29-21-15-18(3)26-24(16-21)23-13-7-10-20(27-23)11-8-14-30-28-19(4)22-12-6-9-17(2)25-22/h6-7,9-10,12-13,15-16H,5,8,11,14H2,1-4H3/b28-19+
InChIKeyQMTOGRATROMCBK-TURZUDJPSA-N
MW404.51 g/mol
LogP4.93
Rot. Bonds9

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

(E)-N-[3-[6-(4-ethoxy-6-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine (PubChem CID 88587993) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is (E)-N-[3-[6-(4-ethoxy-6-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine.

Molecular Properties

Compound Name(E)-N-[3-[6-(4-ethoxy-6-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
PubChem CID88587993
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name(E)-N-[3-[6-(4-ethoxy-6-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
SMILESCCOc1cc(C)nc(-c2cccc(CCCO/N=C(\C)c3cccc(C)n3)n2)c1
InChIInChI=1S/C24H28N4O2/c1-5-29-21-15-18(3)26-24(16-21)23-13-7-10-20(27-23)11-8-14-30-28-19(4)22-12-6-9-17(2)25-22/h6-7,9-10,12-13,15-16H,5,8,11,14H2,1-4H3/b28-19+
InChIKeyQMTOGRATROMCBK-TURZUDJPSA-N
XLogP4.93
TPSA69.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-[6-(4-ethoxy-6-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine?
The IUPAC name of (E)-N-[3-[6-(4-ethoxy-6-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine (CID 88587993) is (E)-N-[3-[6-(4-ethoxy-6-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine.
What is the SMILES notation for (E)-N-[3-[6-(4-ethoxy-6-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine?
The canonical SMILES for (E)-N-[3-[6-(4-ethoxy-6-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine is CCOc1cc(C)nc(-c2cccc(CCCO/N=C(\C)c3cccc(C)n3)n2)c1.
What is the InChIKey of (E)-N-[3-[6-(4-ethoxy-6-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine?
The InChIKey is QMTOGRATROMCBK-TURZUDJPSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-5-29-21-15-18(3)26-24(16-21)23-13-7-10-20(27-23)11-8-14-30-28-19(4)22-12-6-9-17(2)25-22/h6-7,9-10,12-13,15-16H,5,8,11,14H2,1-4H3/b28-19+.
What are the key properties of (E)-N-[3-[6-(4-ethoxy-6-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine?
(E)-N-[3-[6-(4-ethoxy-6-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine has a molecular weight of 404.51 g/mol, XLogP of 4.93, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-[6-(4-ethoxy-6-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine is sourced from PubChem (CID 88587993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).