6-[[3-[3-[(5-formyl-6-oxo-1H-pyridin-2-yl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde

C29H26N2O6 — CID 134240556

IUPAC6-[[3-[3-[(5-formyl-6-oxo-1H-pyridin-2-yl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde
SMILESCOc1nc(OCc2cccc(-c3cccc(COc4ccc(C=O)c(=O)[nH]4)c3C)c2C)ccc1C=O
InChIInChI=1S/C29H26N2O6/c1-18-22(16-36-26-12-10-20(14-32)28(34)30-26)6-4-8-24(18)25-9-5-7-23(19(25)2)17-37-27-13-11-21(15-33)29(31-27)35-3/h4-15H,16-17H2,1-3H3,(H,30,34)
InChIKeyNAQZHYLOGDZNEU-UHFFFAOYSA-N
MW498.54 g/mol
LogP4.85
Rot. Bonds10

About 6-[[3-[3-[(5-formyl-6-oxo-1H-pyridin-2-yl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde

6-[[3-[3-[(5-formyl-6-oxo-1H-pyridin-2-yl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde (PubChem CID 134240556) has the molecular formula C29H26N2O6 and a molecular weight of 498.54 g/mol. Its IUPAC name is 6-[[3-[3-[(5-formyl-6-oxo-1H-pyridin-2-yl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[[3-[3-[(5-formyl-6-oxo-1H-pyridin-2-yl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde
PubChem CID134240556
Molecular FormulaC29H26N2O6
Molecular Weight498.54 g/mol
Exact Mass498.18
IUPAC Name6-[[3-[3-[(5-formyl-6-oxo-1H-pyridin-2-yl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde
SMILESCOc1nc(OCc2cccc(-c3cccc(COc4ccc(C=O)c(=O)[nH]4)c3C)c2C)ccc1C=O
InChIInChI=1S/C29H26N2O6/c1-18-22(16-36-26-12-10-20(14-32)28(34)30-26)6-4-8-24(18)25-9-5-7-23(19(25)2)17-37-27-13-11-21(15-33)29(31-27)35-3/h4-15H,16-17H2,1-3H3,(H,30,34)
InChIKeyNAQZHYLOGDZNEU-UHFFFAOYSA-N
XLogP4.85
TPSA107.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxy-6-((2-methyl-[1,1'-biphenyl]-3-YL)methoxy)nicotinaldehyde
CID 117941962
N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-2,6-dimethoxypyridine-3-carboxamide
CID 87305026
6-[[(1R,2R)-2-fluoro-4-[(1R,2R)-2-fluoro-1-[(5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde
CID 135360851
6-[[(1R,2S)-2-fluoro-4-[(1R,2S)-2-fluoro-1-[(5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde
CID 135361085
6-[[3-[3-[[5-Formyl-6-methoxy-3-(trifluoromethyl)pyridin-2-yl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 135361349
6-[[3-[2-Fluoro-3-[(5-formyl-6-methoxy-2-pyridinyl)oxymethyl]phenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde
CID 135361431
6-Fluoro-2-[3-(3-formyl-5-hydroxyphenyl)phenoxy]pyridine-3-carboxamide
CID 153845298
6-Fluoro-2-[3-(3-formylphenyl)phenoxy]pyridine-3-carboxamide
CID 153845299
6-Fluoro-2-[3-(3-formyl-2-hydroxyphenyl)phenoxy]pyridine-3-carboxamide
CID 153845302
6-Fluoro-2-[3-[3-(2-hydroxyethyl)phenyl]phenoxy]pyridine-3-carboxamide
CID 153845304
6-Fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carboxamide
CID 154203679
3-(2,6-Bis(benzyloxy)pyridin-3-yl)-4-fluorobenzaldehyde
CID 168890834

Frequently Asked Questions

What is the IUPAC name of 6-[[3-[3-[(5-formyl-6-oxo-1H-pyridin-2-yl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde?
The IUPAC name of 6-[[3-[3-[(5-formyl-6-oxo-1H-pyridin-2-yl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde (CID 134240556) is 6-[[3-[3-[(5-formyl-6-oxo-1H-pyridin-2-yl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde.
What is the SMILES notation for 6-[[3-[3-[(5-formyl-6-oxo-1H-pyridin-2-yl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde?
The canonical SMILES for 6-[[3-[3-[(5-formyl-6-oxo-1H-pyridin-2-yl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde is COc1nc(OCc2cccc(-c3cccc(COc4ccc(C=O)c(=O)[nH]4)c3C)c2C)ccc1C=O.
What is the InChIKey of 6-[[3-[3-[(5-formyl-6-oxo-1H-pyridin-2-yl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde?
The InChIKey is NAQZHYLOGDZNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O6/c1-18-22(16-36-26-12-10-20(14-32)28(34)30-26)6-4-8-24(18)25-9-5-7-23(19(25)2)17-37-27-13-11-21(15-33)29(31-27)35-3/h4-15H,16-17H2,1-3H3,(H,30,34).
What are the key properties of 6-[[3-[3-[(5-formyl-6-oxo-1H-pyridin-2-yl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde?
6-[[3-[3-[(5-formyl-6-oxo-1H-pyridin-2-yl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde has a molecular weight of 498.54 g/mol, XLogP of 4.85, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[3-[(5-formyl-6-oxo-1H-pyridin-2-yl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 134240556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).