6-[3-[2-(4-formyl-3-methoxyphenyl)-3-methyl-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde

C28H24N2O5 — CID 175513100

IUPAC6-[3-[2-(4-formyl-3-methoxyphenyl)-3-methyl-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde
SMILESCOc1cc(-c2nccc(-c3cccc(-c4ccc(C=O)c(OC)n4)c3OC)c2C)ccc1C=O
InChIInChI=1S/C28H24N2O5/c1-17-21(12-13-29-26(17)18-8-9-19(15-31)25(14-18)33-2)22-6-5-7-23(27(22)34-3)24-11-10-20(16-32)28(30-24)35-4/h5-16H,1-4H3
InChIKeyJSCZLNAZTSOSNG-UHFFFAOYSA-N
MW468.51 g/mol
LogP5.44
Rot. Bonds8

About 6-[3-[2-(4-formyl-3-methoxyphenyl)-3-methyl-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde

6-[3-[2-(4-formyl-3-methoxyphenyl)-3-methyl-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde (PubChem CID 175513100) has the molecular formula C28H24N2O5 and a molecular weight of 468.51 g/mol. Its IUPAC name is 6-[3-[2-(4-formyl-3-methoxyphenyl)-3-methyl-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[3-[2-(4-formyl-3-methoxyphenyl)-3-methyl-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde
PubChem CID175513100
Molecular FormulaC28H24N2O5
Molecular Weight468.51 g/mol
Exact Mass468.17
IUPAC Name6-[3-[2-(4-formyl-3-methoxyphenyl)-3-methyl-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde
SMILESCOc1cc(-c2nccc(-c3cccc(-c4ccc(C=O)c(OC)n4)c3OC)c2C)ccc1C=O
InChIInChI=1S/C28H24N2O5/c1-17-21(12-13-29-26(17)18-8-9-19(15-31)25(14-18)33-2)22-6-5-7-23(27(22)34-3)24-11-10-20(16-32)28(30-24)35-4/h5-16H,1-4H3
InChIKeyJSCZLNAZTSOSNG-UHFFFAOYSA-N
XLogP5.44
TPSA87.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.51
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-(4-formyl-3-methoxyphenyl)-3-methyl-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde?
The IUPAC name of 6-[3-[2-(4-formyl-3-methoxyphenyl)-3-methyl-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde (CID 175513100) is 6-[3-[2-(4-formyl-3-methoxyphenyl)-3-methyl-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde.
What is the SMILES notation for 6-[3-[2-(4-formyl-3-methoxyphenyl)-3-methyl-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde?
The canonical SMILES for 6-[3-[2-(4-formyl-3-methoxyphenyl)-3-methyl-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde is COc1cc(-c2nccc(-c3cccc(-c4ccc(C=O)c(OC)n4)c3OC)c2C)ccc1C=O.
What is the InChIKey of 6-[3-[2-(4-formyl-3-methoxyphenyl)-3-methyl-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde?
The InChIKey is JSCZLNAZTSOSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O5/c1-17-21(12-13-29-26(17)18-8-9-19(15-31)25(14-18)33-2)22-6-5-7-23(27(22)34-3)24-11-10-20(16-32)28(30-24)35-4/h5-16H,1-4H3.
What are the key properties of 6-[3-[2-(4-formyl-3-methoxyphenyl)-3-methyl-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde?
6-[3-[2-(4-formyl-3-methoxyphenyl)-3-methyl-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde has a molecular weight of 468.51 g/mol, XLogP of 5.44, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-(4-formyl-3-methoxyphenyl)-3-methyl-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 175513100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).