1-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethoxy]-1-pyridin-4-ylmethanimine

C24H26N2O5 — CID 173361339

IUPAC1-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethoxy]-1-pyridin-4-ylmethanimine
SMILESCOc1ccc(CCON=C(c2ccncc2)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C24H26N2O5/c1-27-20-7-5-17(15-22(20)29-3)11-14-31-26-24(18-9-12-25-13-10-18)19-6-8-21(28-2)23(16-19)30-4/h5-10,12-13,15-16H,11,14H2,1-4H3
InChIKeyAMHXWZANBOSEQA-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.13
Rot. Bonds10

About 1-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethoxy]-1-pyridin-4-ylmethanimine

1-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethoxy]-1-pyridin-4-ylmethanimine (PubChem CID 173361339) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethoxy]-1-pyridin-4-ylmethanimine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethoxy]-1-pyridin-4-ylmethanimine
PubChem CID173361339
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name1-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethoxy]-1-pyridin-4-ylmethanimine
SMILESCOc1ccc(CCON=C(c2ccncc2)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C24H26N2O5/c1-27-20-7-5-17(15-22(20)29-3)11-14-31-26-24(18-9-12-25-13-10-18)19-6-8-21(28-2)23(16-19)30-4/h5-10,12-13,15-16H,11,14H2,1-4H3
InChIKeyAMHXWZANBOSEQA-UHFFFAOYSA-N
XLogP4.13
TPSA71.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 1-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethoxy]-1-pyridin-4-ylmethanimine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethoxy]-1-pyridin-4-ylmethanimine (CID 173361339) is 1-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethoxy]-1-pyridin-4-ylmethanimine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethoxy]-1-pyridin-4-ylmethanimine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethoxy]-1-pyridin-4-ylmethanimine is COc1ccc(CCON=C(c2ccncc2)c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethoxy]-1-pyridin-4-ylmethanimine?
The InChIKey is AMHXWZANBOSEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-27-20-7-5-17(15-22(20)29-3)11-14-31-26-24(18-9-12-25-13-10-18)19-6-8-21(28-2)23(16-19)30-4/h5-10,12-13,15-16H,11,14H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethoxy]-1-pyridin-4-ylmethanimine?
1-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethoxy]-1-pyridin-4-ylmethanimine has a molecular weight of 422.48 g/mol, XLogP of 4.13, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethoxy]-1-pyridin-4-ylmethanimine is sourced from PubChem (CID 173361339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).