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

C25H30N4O2 — CID 87765426

IUPAC(E)-N-[3-[6-(6-methyl-4-propoxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
SMILESCCCOc1cc(C)nc(-c2cccc(CCCO/N=C(\C)c3cccc(C)n3)n2)c1
InChIInChI=1S/C25H30N4O2/c1-5-14-30-22-16-19(3)27-25(17-22)24-13-7-10-21(28-24)11-8-15-31-29-20(4)23-12-6-9-18(2)26-23/h6-7,9-10,12-13,16-17H,5,8,11,14-15H2,1-4H3/b29-20+
InChIKeyGISKJELMDSUVTM-ZTKZIYFRSA-N
MW418.54 g/mol
LogP5.32
Rot. Bonds10

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

(E)-N-[3-[6-(6-methyl-4-propoxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine (PubChem CID 87765426) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is (E)-N-[3-[6-(6-methyl-4-propoxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine.

Molecular Properties

Compound Name(E)-N-[3-[6-(6-methyl-4-propoxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
PubChem CID87765426
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name(E)-N-[3-[6-(6-methyl-4-propoxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
SMILESCCCOc1cc(C)nc(-c2cccc(CCCO/N=C(\C)c3cccc(C)n3)n2)c1
InChIInChI=1S/C25H30N4O2/c1-5-14-30-22-16-19(3)27-25(17-22)24-13-7-10-21(28-24)11-8-15-31-29-20(4)23-12-6-9-18(2)26-23/h6-7,9-10,12-13,16-17H,5,8,11,14-15H2,1-4H3/b29-20+
InChIKeyGISKJELMDSUVTM-ZTKZIYFRSA-N
XLogP5.32
TPSA69.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.32
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-(6-methyl-4-propoxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine?
The IUPAC name of (E)-N-[3-[6-(6-methyl-4-propoxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine (CID 87765426) is (E)-N-[3-[6-(6-methyl-4-propoxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine.
What is the SMILES notation for (E)-N-[3-[6-(6-methyl-4-propoxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine?
The canonical SMILES for (E)-N-[3-[6-(6-methyl-4-propoxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine is CCCOc1cc(C)nc(-c2cccc(CCCO/N=C(\C)c3cccc(C)n3)n2)c1.
What is the InChIKey of (E)-N-[3-[6-(6-methyl-4-propoxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine?
The InChIKey is GISKJELMDSUVTM-ZTKZIYFRSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-5-14-30-22-16-19(3)27-25(17-22)24-13-7-10-21(28-24)11-8-15-31-29-20(4)23-12-6-9-18(2)26-23/h6-7,9-10,12-13,16-17H,5,8,11,14-15H2,1-4H3/b29-20+.
What are the key properties of (E)-N-[3-[6-(6-methyl-4-propoxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine?
(E)-N-[3-[6-(6-methyl-4-propoxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine has a molecular weight of 418.54 g/mol, XLogP of 5.32, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-[6-(6-methyl-4-propoxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine is sourced from PubChem (CID 87765426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).