ethyl 4-methoxy-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate

C29H37NO7Si — CID 53350015

IUPACethyl 4-methoxy-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(OC)c(-c2ccc(OCc3ccc(OC)cc3)cc2)cn(COCC[Si](C)(C)C)c1=O
InChIInChI=1S/C29H37NO7Si/c1-7-36-29(32)26-27(34-3)25(18-30(28(26)31)20-35-16-17-38(4,5)6)22-10-14-24(15-11-22)37-19-21-8-12-23(33-2)13-9-21/h8-15,18H,7,16-17,19-20H2,1-6H3
InChIKeyXDPZTRVRZPFWLE-UHFFFAOYSA-N
MW539.70 g/mol
LogP5.60
Rot. Bonds13

About ethyl 4-methoxy-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate

ethyl 4-methoxy-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate (PubChem CID 53350015) has the molecular formula C29H37NO7Si and a molecular weight of 539.70 g/mol. Its IUPAC name is ethyl 4-methoxy-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-methoxy-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate
PubChem CID53350015
Molecular FormulaC29H37NO7Si
Molecular Weight539.70 g/mol
Exact Mass539.23
IUPAC Nameethyl 4-methoxy-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(OC)c(-c2ccc(OCc3ccc(OC)cc3)cc2)cn(COCC[Si](C)(C)C)c1=O
InChIInChI=1S/C29H37NO7Si/c1-7-36-29(32)26-27(34-3)25(18-30(28(26)31)20-35-16-17-38(4,5)6)22-10-14-24(15-11-22)37-19-21-8-12-23(33-2)13-9-21/h8-15,18H,7,16-17,19-20H2,1-6H3
InChIKeyXDPZTRVRZPFWLE-UHFFFAOYSA-N
XLogP5.60
TPSA85.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.70
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[(4-methoxyphenyl)methyl]-4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazole-5-carboxylate
CID 141450621
2-[[2-[6-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-pyridinyl]-4-(phenylmethoxymethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2,2-dimethyl-3-[4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;4-[5-[4-(phenylmethoxymethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol
CID 157269970
ethyl 6-oxo-1-(2-trimethylsilylethoxymethyl)pyrimidine-4-carboxylate
CID 59006647
diethyl 4-[4-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232718
ethyl 5-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 59677265
ethyl 2-amino-4-[(4-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carboxylate
CID 54851405
ethyl 4-bromo-3-[(4-methoxyphenoxy)methyl]-1-methylpyrazole-5-carboxylate
CID 165416767
ethyl 4-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxymethyl]benzoate
CID 84572358
ethyl 4-bromo-2,6-dimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxylate
CID 140834477
5-(3-methoxyphenyl)-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid
CID 170906723
ethyl 1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 69370657
ethyl 3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 123609397

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methoxy-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 4-methoxy-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate (CID 53350015) is ethyl 4-methoxy-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-methoxy-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-methoxy-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate is CCOC(=O)c1c(OC)c(-c2ccc(OCc3ccc(OC)cc3)cc2)cn(COCC[Si](C)(C)C)c1=O.
What is the InChIKey of ethyl 4-methoxy-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate?
The InChIKey is XDPZTRVRZPFWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37NO7Si/c1-7-36-29(32)26-27(34-3)25(18-30(28(26)31)20-35-16-17-38(4,5)6)22-10-14-24(15-11-22)37-19-21-8-12-23(33-2)13-9-21/h8-15,18H,7,16-17,19-20H2,1-6H3.
What are the key properties of ethyl 4-methoxy-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate?
ethyl 4-methoxy-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate has a molecular weight of 539.70 g/mol, XLogP of 5.60, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methoxy-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate is sourced from PubChem (CID 53350015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).