methyl 5,6-bis(4-methoxyphenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carboxylate

C22H21NO5S — CID 101432782

IUPACmethyl 5,6-bis(4-methoxyphenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c(SC)c(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)[nH]c1=O
InChIInChI=1S/C22H21NO5S/c1-26-15-9-5-13(6-10-15)17-19(14-7-11-16(27-2)12-8-14)23-21(24)18(20(17)29-4)22(25)28-3/h5-12H,1-4H3,(H,23,24)
InChIKeyYLVJGXXLVHOAAY-UHFFFAOYSA-N
MW411.48 g/mol
LogP4.23
Rot. Bonds6

About methyl 5,6-bis(4-methoxyphenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carboxylate

methyl 5,6-bis(4-methoxyphenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 101432782) has the molecular formula C22H21NO5S and a molecular weight of 411.48 g/mol. Its IUPAC name is methyl 5,6-bis(4-methoxyphenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5,6-bis(4-methoxyphenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carboxylate
PubChem CID101432782
Molecular FormulaC22H21NO5S
Molecular Weight411.48 g/mol
Exact Mass411.11
IUPAC Namemethyl 5,6-bis(4-methoxyphenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c(SC)c(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)[nH]c1=O
InChIInChI=1S/C22H21NO5S/c1-26-15-9-5-13(6-10-15)17-19(14-7-11-16(27-2)12-8-14)23-21(24)18(20(17)29-4)22(25)28-3/h5-12H,1-4H3,(H,23,24)
InChIKeyYLVJGXXLVHOAAY-UHFFFAOYSA-N
XLogP4.23
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 71517932
5-(4-methoxyphenyl)-6-phenyl-1H-pyrimidine-2,4-dione
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methyl 4-[(3R)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate
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methyl 3-(4-methoxyphenyl)-2-methylsulfanylpyridine-4-carboxylate
CID 54413564
6-(4-methoxyphenyl)-4,5-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 82120081
methyl 5-(4-methoxyphenyl)-2-methyl-4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1H-pyrrole-3-carboxylate
CID 42655394
methyl 5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
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6-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
CID 16766751
4-(4-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 82089759
4-(4-methoxyphenyl)-5-methyl-1,2-dihydropyrazol-3-one
CID 68573583
methyl 4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 5,6-bis(4-methoxyphenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 5,6-bis(4-methoxyphenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carboxylate (CID 101432782) is methyl 5,6-bis(4-methoxyphenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 5,6-bis(4-methoxyphenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 5,6-bis(4-methoxyphenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carboxylate is COC(=O)c1c(SC)c(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)[nH]c1=O.
What is the InChIKey of methyl 5,6-bis(4-methoxyphenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is YLVJGXXLVHOAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5S/c1-26-15-9-5-13(6-10-15)17-19(14-7-11-16(27-2)12-8-14)23-21(24)18(20(17)29-4)22(25)28-3/h5-12H,1-4H3,(H,23,24).
What are the key properties of methyl 5,6-bis(4-methoxyphenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carboxylate?
methyl 5,6-bis(4-methoxyphenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 411.48 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,6-bis(4-methoxyphenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 101432782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).