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

C26H32N4O2 — CID 87765423

IUPAC(E)-1-(4,6-dimethyl-2-pyridinyl)-N-[3-[6-(6-methyl-4-propoxy-2-pyridinyl)-2-pyridinyl]propoxy]ethanimine
SMILESCCCOc1cc(C)nc(-c2cccc(CCCO/N=C(\C)c3cc(C)cc(C)n3)n2)c1
InChIInChI=1S/C26H32N4O2/c1-6-12-31-23-16-20(4)28-26(17-23)24-11-7-9-22(29-24)10-8-13-32-30-21(5)25-15-18(2)14-19(3)27-25/h7,9,11,14-17H,6,8,10,12-13H2,1-5H3/b30-21+
InChIKeyUWLODTSCRMHOME-MWAVMZGNSA-N
MW432.57 g/mol
LogP5.63
Rot. Bonds10

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

(E)-1-(4,6-dimethyl-2-pyridinyl)-N-[3-[6-(6-methyl-4-propoxy-2-pyridinyl)-2-pyridinyl]propoxy]ethanimine (PubChem CID 87765423) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is (E)-1-(4,6-dimethyl-2-pyridinyl)-N-[3-[6-(6-methyl-4-propoxy-2-pyridinyl)-2-pyridinyl]propoxy]ethanimine.

Molecular Properties

Compound Name(E)-1-(4,6-dimethyl-2-pyridinyl)-N-[3-[6-(6-methyl-4-propoxy-2-pyridinyl)-2-pyridinyl]propoxy]ethanimine
PubChem CID87765423
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name(E)-1-(4,6-dimethyl-2-pyridinyl)-N-[3-[6-(6-methyl-4-propoxy-2-pyridinyl)-2-pyridinyl]propoxy]ethanimine
SMILESCCCOc1cc(C)nc(-c2cccc(CCCO/N=C(\C)c3cc(C)cc(C)n3)n2)c1
InChIInChI=1S/C26H32N4O2/c1-6-12-31-23-16-20(4)28-26(17-23)24-11-7-9-22(29-24)10-8-13-32-30-21(5)25-15-18(2)14-19(3)27-25/h7,9,11,14-17H,6,8,10,12-13H2,1-5H3/b30-21+
InChIKeyUWLODTSCRMHOME-MWAVMZGNSA-N
XLogP5.63
TPSA69.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 55.63
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)-1-(4,6-dimethyl-2-pyridinyl)-N-[3-[6-(6-methyl-4-propoxy-2-pyridinyl)-2-pyridinyl]propoxy]ethanimine?
The IUPAC name of (E)-1-(4,6-dimethyl-2-pyridinyl)-N-[3-[6-(6-methyl-4-propoxy-2-pyridinyl)-2-pyridinyl]propoxy]ethanimine (CID 87765423) is (E)-1-(4,6-dimethyl-2-pyridinyl)-N-[3-[6-(6-methyl-4-propoxy-2-pyridinyl)-2-pyridinyl]propoxy]ethanimine.
What is the SMILES notation for (E)-1-(4,6-dimethyl-2-pyridinyl)-N-[3-[6-(6-methyl-4-propoxy-2-pyridinyl)-2-pyridinyl]propoxy]ethanimine?
The canonical SMILES for (E)-1-(4,6-dimethyl-2-pyridinyl)-N-[3-[6-(6-methyl-4-propoxy-2-pyridinyl)-2-pyridinyl]propoxy]ethanimine is CCCOc1cc(C)nc(-c2cccc(CCCO/N=C(\C)c3cc(C)cc(C)n3)n2)c1.
What is the InChIKey of (E)-1-(4,6-dimethyl-2-pyridinyl)-N-[3-[6-(6-methyl-4-propoxy-2-pyridinyl)-2-pyridinyl]propoxy]ethanimine?
The InChIKey is UWLODTSCRMHOME-MWAVMZGNSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-6-12-31-23-16-20(4)28-26(17-23)24-11-7-9-22(29-24)10-8-13-32-30-21(5)25-15-18(2)14-19(3)27-25/h7,9,11,14-17H,6,8,10,12-13H2,1-5H3/b30-21+.
What are the key properties of (E)-1-(4,6-dimethyl-2-pyridinyl)-N-[3-[6-(6-methyl-4-propoxy-2-pyridinyl)-2-pyridinyl]propoxy]ethanimine?
(E)-1-(4,6-dimethyl-2-pyridinyl)-N-[3-[6-(6-methyl-4-propoxy-2-pyridinyl)-2-pyridinyl]propoxy]ethanimine has a molecular weight of 432.57 g/mol, XLogP of 5.63, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4,6-dimethyl-2-pyridinyl)-N-[3-[6-(6-methyl-4-propoxy-2-pyridinyl)-2-pyridinyl]propoxy]ethanimine is sourced from PubChem (CID 87765423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).