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

C22H24N4O — CID 89419496

IUPAC(E)-N-methoxy-1-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine
SMILESCO/N=C(\C)c1cccc(CCCc2cccc(-c3cccc(C)n3)n2)n1
InChIInChI=1S/C22H24N4O/c1-16-8-4-14-21(23-16)22-15-7-12-19(25-22)10-5-9-18-11-6-13-20(24-18)17(2)26-27-3/h4,6-8,11-15H,5,9-10H2,1-3H3/b26-17+
InChIKeyRTFWACPPYJXPDC-YZSQISJMSA-N
MW360.46 g/mol
LogP4.39
Rot. Bonds7

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

(E)-N-methoxy-1-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine (PubChem CID 89419496) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is (E)-N-methoxy-1-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine.

Molecular Properties

Compound Name(E)-N-methoxy-1-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine
PubChem CID89419496
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name(E)-N-methoxy-1-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine
SMILESCO/N=C(\C)c1cccc(CCCc2cccc(-c3cccc(C)n3)n2)n1
InChIInChI=1S/C22H24N4O/c1-16-8-4-14-21(23-16)22-15-7-12-19(25-22)10-5-9-18-11-6-13-20(24-18)17(2)26-27-3/h4,6-8,11-15H,5,9-10H2,1-3H3/b26-17+
InChIKeyRTFWACPPYJXPDC-YZSQISJMSA-N
XLogP4.39
TPSA60.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine?
The IUPAC name of (E)-N-methoxy-1-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine (CID 89419496) is (E)-N-methoxy-1-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine.
What is the SMILES notation for (E)-N-methoxy-1-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine?
The canonical SMILES for (E)-N-methoxy-1-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine is CO/N=C(\C)c1cccc(CCCc2cccc(-c3cccc(C)n3)n2)n1.
What is the InChIKey of (E)-N-methoxy-1-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine?
The InChIKey is RTFWACPPYJXPDC-YZSQISJMSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16-8-4-14-21(23-16)22-15-7-12-19(25-22)10-5-9-18-11-6-13-20(24-18)17(2)26-27-3/h4,6-8,11-15H,5,9-10H2,1-3H3/b26-17+.
What are the key properties of (E)-N-methoxy-1-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine?
(E)-N-methoxy-1-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine has a molecular weight of 360.46 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-1-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine is sourced from PubChem (CID 89419496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).