(E)-1-(4-methoxy-6-pyridin-2-yl-2-pyridinyl)-N-(2-phenylethoxy)methanimine

C20H19N3O2 — CID 156580852

IUPAC(E)-1-(4-methoxy-6-pyridin-2-yl-2-pyridinyl)-N-(2-phenylethoxy)methanimine
SMILESCOc1cc(/C=N/OCCc2ccccc2)nc(-c2ccccn2)c1
InChIInChI=1S/C20H19N3O2/c1-24-18-13-17(23-20(14-18)19-9-5-6-11-21-19)15-22-25-12-10-16-7-3-2-4-8-16/h2-9,11,13-15H,10,12H2,1H3/b22-15+
InChIKeyQYSCAYMWRYGKNI-PXLXIMEGSA-N
MW333.39 g/mol
LogP3.75
Rot. Bonds7

About (E)-1-(4-methoxy-6-pyridin-2-yl-2-pyridinyl)-N-(2-phenylethoxy)methanimine

(E)-1-(4-methoxy-6-pyridin-2-yl-2-pyridinyl)-N-(2-phenylethoxy)methanimine (PubChem CID 156580852) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (E)-1-(4-methoxy-6-pyridin-2-yl-2-pyridinyl)-N-(2-phenylethoxy)methanimine.

Molecular Properties

Compound Name(E)-1-(4-methoxy-6-pyridin-2-yl-2-pyridinyl)-N-(2-phenylethoxy)methanimine
PubChem CID156580852
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(E)-1-(4-methoxy-6-pyridin-2-yl-2-pyridinyl)-N-(2-phenylethoxy)methanimine
SMILESCOc1cc(/C=N/OCCc2ccccc2)nc(-c2ccccn2)c1
InChIInChI=1S/C20H19N3O2/c1-24-18-13-17(23-20(14-18)19-9-5-6-11-21-19)15-22-25-12-10-16-7-3-2-4-8-16/h2-9,11,13-15H,10,12H2,1H3/b22-15+
InChIKeyQYSCAYMWRYGKNI-PXLXIMEGSA-N
XLogP3.75
TPSA56.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methoxy-6-pyridin-2-yl-2-pyridinyl)-N-(2-phenylethoxy)methanimine?
The IUPAC name of (E)-1-(4-methoxy-6-pyridin-2-yl-2-pyridinyl)-N-(2-phenylethoxy)methanimine (CID 156580852) is (E)-1-(4-methoxy-6-pyridin-2-yl-2-pyridinyl)-N-(2-phenylethoxy)methanimine.
What is the SMILES notation for (E)-1-(4-methoxy-6-pyridin-2-yl-2-pyridinyl)-N-(2-phenylethoxy)methanimine?
The canonical SMILES for (E)-1-(4-methoxy-6-pyridin-2-yl-2-pyridinyl)-N-(2-phenylethoxy)methanimine is COc1cc(/C=N/OCCc2ccccc2)nc(-c2ccccn2)c1.
What is the InChIKey of (E)-1-(4-methoxy-6-pyridin-2-yl-2-pyridinyl)-N-(2-phenylethoxy)methanimine?
The InChIKey is QYSCAYMWRYGKNI-PXLXIMEGSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-24-18-13-17(23-20(14-18)19-9-5-6-11-21-19)15-22-25-12-10-16-7-3-2-4-8-16/h2-9,11,13-15H,10,12H2,1H3/b22-15+.
What are the key properties of (E)-1-(4-methoxy-6-pyridin-2-yl-2-pyridinyl)-N-(2-phenylethoxy)methanimine?
(E)-1-(4-methoxy-6-pyridin-2-yl-2-pyridinyl)-N-(2-phenylethoxy)methanimine has a molecular weight of 333.39 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methoxy-6-pyridin-2-yl-2-pyridinyl)-N-(2-phenylethoxy)methanimine is sourced from PubChem (CID 156580852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).