methyl 1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-oxopyridine-4-carboxylate

C20H27NO6Si — CID 58580277

IUPACmethyl 1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-oxopyridine-4-carboxylate
SMILESCOC(=O)c1ccn(-c2ccc(OCOCC[Si](C)(C)C)c(OC)c2)c(=O)c1
InChIInChI=1S/C20H27NO6Si/c1-24-18-13-16(21-9-8-15(12-19(21)22)20(23)25-2)6-7-17(18)27-14-26-10-11-28(3,4)5/h6-9,12-13H,10-11,14H2,1-5H3
InChIKeyXFIQWGPRBAWKAS-UHFFFAOYSA-N
MW405.52 g/mol
LogP3.32
Rot. Bonds9

About methyl 1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-oxopyridine-4-carboxylate

methyl 1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-oxopyridine-4-carboxylate (PubChem CID 58580277) has the molecular formula C20H27NO6Si and a molecular weight of 405.52 g/mol. Its IUPAC name is methyl 1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-oxopyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-oxopyridine-4-carboxylate
PubChem CID58580277
Molecular FormulaC20H27NO6Si
Molecular Weight405.52 g/mol
Exact Mass405.16
IUPAC Namemethyl 1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-oxopyridine-4-carboxylate
SMILESCOC(=O)c1ccn(-c2ccc(OCOCC[Si](C)(C)C)c(OC)c2)c(=O)c1
InChIInChI=1S/C20H27NO6Si/c1-24-18-13-16(21-9-8-15(12-19(21)22)20(23)25-2)6-7-17(18)27-14-26-10-11-28(3,4)5/h6-9,12-13H,10-11,14H2,1-5H3
InChIKeyXFIQWGPRBAWKAS-UHFFFAOYSA-N
XLogP3.32
TPSA75.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(hydroxymethyl)-1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]pyridin-2-one
CID 58580238
methyl 1-(3,4-dimethylphenyl)-2-oxopyridine-4-carboxylate
CID 91406390
methyl 8-bromo-4-(2-trimethylsilylethoxymethoxy)naphthalene-2-carboxylate
CID 21023517
1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-(4-methylphenoxy)pyrrolidin-2-one
CID 160523814
methyl 4-(2-chloropyrimidin-4-yl)-3-(2-trimethylsilylethoxymethoxy)benzoate
CID 162361540
methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
CID 15167932
1-(4-chlorophenyl)-3-[[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]carbamoyl]pyrazole-4-carboxylic acid
CID 68734365
1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one
CID 46911310
4-bromo-2-methoxyphenol;2-[(4-bromo-2-methoxyphenoxy)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane
CID 159501302
methyl 4-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethoxy]benzoate
CID 55841019
methyl 4-[2-(3-bromophenoxy)ethoxy]-3-methoxybenzoate
CID 7694604
methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 140802943

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-oxopyridine-4-carboxylate?
The IUPAC name of methyl 1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-oxopyridine-4-carboxylate (CID 58580277) is methyl 1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-oxopyridine-4-carboxylate.
What is the SMILES notation for methyl 1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-oxopyridine-4-carboxylate?
The canonical SMILES for methyl 1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-oxopyridine-4-carboxylate is COC(=O)c1ccn(-c2ccc(OCOCC[Si](C)(C)C)c(OC)c2)c(=O)c1.
What is the InChIKey of methyl 1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-oxopyridine-4-carboxylate?
The InChIKey is XFIQWGPRBAWKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO6Si/c1-24-18-13-16(21-9-8-15(12-19(21)22)20(23)25-2)6-7-17(18)27-14-26-10-11-28(3,4)5/h6-9,12-13H,10-11,14H2,1-5H3.
What are the key properties of methyl 1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-oxopyridine-4-carboxylate?
methyl 1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-oxopyridine-4-carboxylate has a molecular weight of 405.52 g/mol, XLogP of 3.32, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-oxopyridine-4-carboxylate is sourced from PubChem (CID 58580277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).