6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-(2,4-dimethoxyphenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(4-methoxy-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxy-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxy-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid

C102H112N8O27 — CID 160595470

IUPAC6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-(2,4-dimethoxyphenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(4-methoxy-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxy-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxy-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(OC)cc2C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc(OC)cc2OC)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(OC)cc1C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(OC)cc1N1CCCC1.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(OC)cc1OC.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccccc1N1CCCCC1
InChIInChI=1S/C19H22N2O4.C19H22N2O3.C16H17NO6.2C16H17NO5.C16H17NO4/c1-3-12-10-15(19(23)24)18(22)20-17(12)14-7-6-13(25-2)11-16(14)21-8-4-5-9-21;1-2-13-12-15(19(23)24)18(22)20-17(13)14-8-4-5-9-16(14)21-10-6-3-7-11-21;1-4-9-13(17-15(19)12(14(9)18)16(20)21)10-6-5-8(22-2)7-11(10)23-3;1-4-9-7-12(16(19)20)15(18)17-14(9)11-6-5-10(21-2)8-13(11)22-3;1-4-10-13(11-6-5-9(22-3)7-8(11)2)17-15(19)12(14(10)18)16(20)21;1-4-10-8-13(16(19)20)15(18)17-14(10)12-6-5-11(21-3)7-9(12)2/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,20,22)(H,23,24);4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,20,22)(H,23,24);5-7H,4H2,1-3H3,(H,20,21)(H2,17,18,19);5-8H,4H2,1-3H3,(H,17,18)(H,19,20);5-7H,4H2,1-3H3,(H,20,21)(H2,17,18,19);5-8H,4H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyRDOMMGYZJFQXLB-UHFFFAOYSA-N
MW1882.05 g/mol
LogP15.49
Rot. Bonds27

About 6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-(2,4-dimethoxyphenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(4-methoxy-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxy-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxy-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid

6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-(2,4-dimethoxyphenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(4-methoxy-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxy-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxy-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid (PubChem CID 160595470) has the molecular formula C102H112N8O27 and a molecular weight of 1882.05 g/mol. Its IUPAC name is 6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-(2,4-dimethoxyphenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(4-methoxy-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxy-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxy-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-(2,4-dimethoxyphenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(4-methoxy-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxy-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxy-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid
PubChem CID160595470
Molecular FormulaC102H112N8O27
Molecular Weight1882.05 g/mol
Exact Mass1880.76
IUPAC Name6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-(2,4-dimethoxyphenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(4-methoxy-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxy-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxy-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(OC)cc2C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc(OC)cc2OC)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(OC)cc1C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(OC)cc1N1CCCC1.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(OC)cc1OC.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccccc1N1CCCCC1
InChIInChI=1S/C19H22N2O4.C19H22N2O3.C16H17NO6.2C16H17NO5.C16H17NO4/c1-3-12-10-15(19(23)24)18(22)20-17(12)14-7-6-13(25-2)11-16(14)21-8-4-5-9-21;1-2-13-12-15(19(23)24)18(22)20-17(13)14-8-4-5-9-16(14)21-10-6-3-7-11-21;1-4-9-13(17-15(19)12(14(9)18)16(20)21)10-6-5-8(22-2)7-11(10)23-3;1-4-9-7-12(16(19)20)15(18)17-14(9)11-6-5-10(21-2)8-13(11)22-3;1-4-10-13(11-6-5-9(22-3)7-8(11)2)17-15(19)12(14(10)18)16(20)21;1-4-10-8-13(16(19)20)15(18)17-14(10)12-6-5-11(21-3)7-9(12)2/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,20,22)(H,23,24);4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,20,22)(H,23,24);5-7H,4H2,1-3H3,(H,20,21)(H2,17,18,19);5-8H,4H2,1-3H3,(H,17,18)(H,19,20);5-7H,4H2,1-3H3,(H,20,21)(H2,17,18,19);5-8H,4H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyRDOMMGYZJFQXLB-UHFFFAOYSA-N
XLogP15.49
TPSA532.51 Ų
H-Bond Donors14
H-Bond Acceptors23
Rotatable Bonds27
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001882.05
LogP ≤ 515.49
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1023

Analyze 6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-(2,4-dimethoxyphenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(4-methoxy-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxy-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxy-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-(2,4-dimethoxyphenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(4-methoxy-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxy-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxy-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-(2,4-dimethoxyphenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(4-methoxy-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxy-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxy-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid (CID 160595470) is 6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-(2,4-dimethoxyphenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(4-methoxy-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxy-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxy-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-(2,4-dimethoxyphenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(4-methoxy-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxy-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxy-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-(2,4-dimethoxyphenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(4-methoxy-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxy-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxy-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc(OC)cc2C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc(OC)cc2OC)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(OC)cc1C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(OC)cc1N1CCCC1.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(OC)cc1OC.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccccc1N1CCCCC1.
What is the InChIKey of 6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-(2,4-dimethoxyphenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(4-methoxy-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxy-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxy-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid?
The InChIKey is RDOMMGYZJFQXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4.C19H22N2O3.C16H17NO6.2C16H17NO5.C16H17NO4/c1-3-12-10-15(19(23)24)18(22)20-17(12)14-7-6-13(25-2)11-16(14)21-8-4-5-9-21;1-2-13-12-15(19(23)24)18(22)20-17(13)14-8-4-5-9-16(14)21-10-6-3-7-11-21;1-4-9-13(17-15(19)12(14(9)18)16(20)21)10-6-5-8(22-2)7-11(10)23-3;1-4-9-7-12(16(19)20)15(18)17-14(9)11-6-5-10(21-2)8-13(11)22-3;1-4-10-13(11-6-5-9(22-3)7-8(11)2)17-15(19)12(14(10)18)16(20)21;1-4-10-8-13(16(19)20)15(18)17-14(10)12-6-5-11(21-3)7-9(12)2/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,20,22)(H,23,24);4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,20,22)(H,23,24);5-7H,4H2,1-3H3,(H,20,21)(H2,17,18,19);5-8H,4H2,1-3H3,(H,17,18)(H,19,20);5-7H,4H2,1-3H3,(H,20,21)(H2,17,18,19);5-8H,4H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-(2,4-dimethoxyphenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(4-methoxy-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxy-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxy-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid?
6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-(2,4-dimethoxyphenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(4-methoxy-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxy-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxy-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid has a molecular weight of 1882.05 g/mol, XLogP of 15.49, 27 rotatable bonds, 14 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-(2,4-dimethoxyphenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(4-methoxy-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxy-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxy-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 160595470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).