(E)-N-methoxy-1-[6-[3-[6-(6-methylsulfanyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine

C22H24N4OS — CID 89419521

IUPAC(E)-N-methoxy-1-[6-[3-[6-(6-methylsulfanyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine
SMILESCO/N=C(\C)c1cccc(CCCc2cccc(-c3cccc(SC)n3)n2)n1
InChIInChI=1S/C22H24N4OS/c1-16(26-27-2)19-12-5-10-17(23-19)8-4-9-18-11-6-13-20(24-18)21-14-7-15-22(25-21)28-3/h5-7,10-15H,4,8-9H2,1-3H3/b26-16+
InChIKeyLXQHDLNVJJEYIA-WGOQTCKBSA-N
MW392.53 g/mol
LogP4.81
Rot. Bonds8

About (E)-N-methoxy-1-[6-[3-[6-(6-methylsulfanyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine

(E)-N-methoxy-1-[6-[3-[6-(6-methylsulfanyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine (PubChem CID 89419521) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is (E)-N-methoxy-1-[6-[3-[6-(6-methylsulfanyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine.

Molecular Properties

Compound Name(E)-N-methoxy-1-[6-[3-[6-(6-methylsulfanyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine
PubChem CID89419521
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC Name(E)-N-methoxy-1-[6-[3-[6-(6-methylsulfanyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine
SMILESCO/N=C(\C)c1cccc(CCCc2cccc(-c3cccc(SC)n3)n2)n1
InChIInChI=1S/C22H24N4OS/c1-16(26-27-2)19-12-5-10-17(23-19)8-4-9-18-11-6-13-20(24-18)21-14-7-15-22(25-21)28-3/h5-7,10-15H,4,8-9H2,1-3H3/b26-16+
InChIKeyLXQHDLNVJJEYIA-WGOQTCKBSA-N
XLogP4.81
TPSA60.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-methoxy-1-[6-[3-[6-(6-methylsulfanyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine?
The IUPAC name of (E)-N-methoxy-1-[6-[3-[6-(6-methylsulfanyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine (CID 89419521) is (E)-N-methoxy-1-[6-[3-[6-(6-methylsulfanyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine.
What is the SMILES notation for (E)-N-methoxy-1-[6-[3-[6-(6-methylsulfanyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine?
The canonical SMILES for (E)-N-methoxy-1-[6-[3-[6-(6-methylsulfanyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine is CO/N=C(\C)c1cccc(CCCc2cccc(-c3cccc(SC)n3)n2)n1.
What is the InChIKey of (E)-N-methoxy-1-[6-[3-[6-(6-methylsulfanyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine?
The InChIKey is LXQHDLNVJJEYIA-WGOQTCKBSA-N. The full InChI is InChI=1S/C22H24N4OS/c1-16(26-27-2)19-12-5-10-17(23-19)8-4-9-18-11-6-13-20(24-18)21-14-7-15-22(25-21)28-3/h5-7,10-15H,4,8-9H2,1-3H3/b26-16+.
What are the key properties of (E)-N-methoxy-1-[6-[3-[6-(6-methylsulfanyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine?
(E)-N-methoxy-1-[6-[3-[6-(6-methylsulfanyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine has a molecular weight of 392.53 g/mol, XLogP of 4.81, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-1-[6-[3-[6-(6-methylsulfanyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine is sourced from PubChem (CID 89419521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).