6-[4-(dimethylamino)-2-methoxyphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methoxyphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-2-methoxyphenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methoxyphenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methylphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(3-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid

C104H122N12O26 — CID 158989506

IUPAC6-[4-(dimethylamino)-2-methoxyphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methoxyphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-2-methoxyphenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methoxyphenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methylphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(3-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(N(C)C)c(C)c2)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc(N(C)C)c(OC)c2)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc(N(C)C)cc2OC)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N(C)C)c(OC)c1.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N(C)C)cc1OC.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCCC2)c(OC)c1
InChIInChI=1S/C19H22N2O4.2C17H20N2O5.3C17H20N2O4/c1-3-12-10-14(19(23)24)18(22)20-17(12)13-6-7-15(16(11-13)25-2)21-8-4-5-9-21;1-5-10-14(18-16(21)13(15(10)20)17(22)23)11-7-6-9(19(2)3)8-12(11)24-4;1-5-10-14(18-16(21)13(15(10)20)17(22)23)9-6-7-11(19(2)3)12(8-9)24-4;1-5-10-8-12(17(21)22)16(20)18-15(10)11-6-7-13(19(2)3)14(9-11)23-4;1-5-10-8-13(17(21)22)16(20)18-15(10)12-7-6-11(19(2)3)9-14(12)23-4;1-5-11-14(18-16(21)13(15(11)20)17(22)23)10-6-7-12(19(3)4)9(2)8-10/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,20,22)(H,23,24);2*6-8H,5H2,1-4H3,(H,22,23)(H2,18,20,21);2*6-9H,5H2,1-4H3,(H,18,20)(H,21,22);6-8H,5H2,1-4H3,(H,22,23)(H2,18,20,21)
InChIKeyJPZHZNOADJZEJQ-UHFFFAOYSA-N
MW1956.18 g/mol
LogP14.21
Rot. Bonds29

About 6-[4-(dimethylamino)-2-methoxyphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methoxyphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-2-methoxyphenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methoxyphenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methylphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(3-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid

6-[4-(dimethylamino)-2-methoxyphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methoxyphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-2-methoxyphenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methoxyphenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methylphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(3-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 158989506) has the molecular formula C104H122N12O26 and a molecular weight of 1956.18 g/mol. Its IUPAC name is 6-[4-(dimethylamino)-2-methoxyphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methoxyphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-2-methoxyphenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methoxyphenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methylphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(3-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(dimethylamino)-2-methoxyphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methoxyphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-2-methoxyphenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methoxyphenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methylphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(3-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID158989506
Molecular FormulaC104H122N12O26
Molecular Weight1956.18 g/mol
Exact Mass1954.86
IUPAC Name6-[4-(dimethylamino)-2-methoxyphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methoxyphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-2-methoxyphenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methoxyphenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methylphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(3-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(N(C)C)c(C)c2)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc(N(C)C)c(OC)c2)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc(N(C)C)cc2OC)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N(C)C)c(OC)c1.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N(C)C)cc1OC.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCCC2)c(OC)c1
InChIInChI=1S/C19H22N2O4.2C17H20N2O5.3C17H20N2O4/c1-3-12-10-14(19(23)24)18(22)20-17(12)13-6-7-15(16(11-13)25-2)21-8-4-5-9-21;1-5-10-14(18-16(21)13(15(10)20)17(22)23)11-7-6-9(19(2)3)8-12(11)24-4;1-5-10-14(18-16(21)13(15(10)20)17(22)23)9-6-7-11(19(2)3)12(8-9)24-4;1-5-10-8-12(17(21)22)16(20)18-15(10)11-6-7-13(19(2)3)14(9-11)23-4;1-5-10-8-13(17(21)22)16(20)18-15(10)12-7-6-11(19(2)3)9-14(12)23-4;1-5-11-14(18-16(21)13(15(11)20)17(22)23)10-6-7-12(19(3)4)9(2)8-10/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,20,22)(H,23,24);2*6-8H,5H2,1-4H3,(H,22,23)(H2,18,20,21);2*6-9H,5H2,1-4H3,(H,18,20)(H,21,22);6-8H,5H2,1-4H3,(H,22,23)(H2,18,20,21)
InChIKeyJPZHZNOADJZEJQ-UHFFFAOYSA-N
XLogP14.21
TPSA547.24 Ų
H-Bond Donors15
H-Bond Acceptors26
Rotatable Bonds29
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001956.18
LogP ≤ 514.21
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1026

Analyze 6-[4-(dimethylamino)-2-methoxyphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methoxyphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-2-methoxyphenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methoxyphenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methylphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(3-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)-2-methoxyphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methoxyphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-2-methoxyphenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methoxyphenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methylphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(3-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-(dimethylamino)-2-methoxyphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methoxyphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-2-methoxyphenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methoxyphenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methylphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(3-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 158989506) is 6-[4-(dimethylamino)-2-methoxyphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methoxyphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-2-methoxyphenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methoxyphenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methylphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(3-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-(dimethylamino)-2-methoxyphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methoxyphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-2-methoxyphenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methoxyphenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methylphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(3-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-(dimethylamino)-2-methoxyphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methoxyphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-2-methoxyphenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methoxyphenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methylphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(3-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc(N(C)C)c(C)c2)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc(N(C)C)c(OC)c2)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc(N(C)C)cc2OC)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N(C)C)c(OC)c1.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N(C)C)cc1OC.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCCC2)c(OC)c1.
What is the InChIKey of 6-[4-(dimethylamino)-2-methoxyphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methoxyphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-2-methoxyphenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methoxyphenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methylphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(3-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is JPZHZNOADJZEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4.2C17H20N2O5.3C17H20N2O4/c1-3-12-10-14(19(23)24)18(22)20-17(12)13-6-7-15(16(11-13)25-2)21-8-4-5-9-21;1-5-10-14(18-16(21)13(15(10)20)17(22)23)11-7-6-9(19(2)3)8-12(11)24-4;1-5-10-14(18-16(21)13(15(10)20)17(22)23)9-6-7-11(19(2)3)12(8-9)24-4;1-5-10-8-12(17(21)22)16(20)18-15(10)11-6-7-13(19(2)3)14(9-11)23-4;1-5-10-8-13(17(21)22)16(20)18-15(10)12-7-6-11(19(2)3)9-14(12)23-4;1-5-11-14(18-16(21)13(15(11)20)17(22)23)10-6-7-12(19(3)4)9(2)8-10/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,20,22)(H,23,24);2*6-8H,5H2,1-4H3,(H,22,23)(H2,18,20,21);2*6-9H,5H2,1-4H3,(H,18,20)(H,21,22);6-8H,5H2,1-4H3,(H,22,23)(H2,18,20,21).
What are the key properties of 6-[4-(dimethylamino)-2-methoxyphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methoxyphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-2-methoxyphenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methoxyphenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methylphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(3-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
6-[4-(dimethylamino)-2-methoxyphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methoxyphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-2-methoxyphenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methoxyphenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methylphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(3-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 1956.18 g/mol, XLogP of 14.21, 29 rotatable bonds, 15 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)-2-methoxyphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methoxyphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-2-methoxyphenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methoxyphenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(dimethylamino)-3-methylphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(3-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 158989506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).