6-[4-(dimethylamino)-2-fluorophenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methoxy-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methyl-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methyl-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid

C111H129FN12O22 — CID 159937717

IUPAC6-[4-(dimethylamino)-2-fluorophenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methoxy-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methyl-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methyl-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(N3CCCCC3)cc2C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc(N3CCCCC3)cc2OC)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N(C)C)cc1F.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCCC2)cc1OC.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCCCC2)cc1C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccccc1N(C)C
InChIInChI=1S/C20H24N2O5.C20H24N2O4.C20H24N2O3.C19H22N2O4.C16H17FN2O3.C16H18N2O3/c1-3-13-17(21-19(24)16(18(13)23)20(25)26)14-8-7-12(11-15(14)27-2)22-9-5-4-6-10-22;1-3-14-17(21-19(24)16(18(14)23)20(25)26)15-8-7-13(11-12(15)2)22-9-5-4-6-10-22;1-3-14-12-17(20(24)25)19(23)21-18(14)16-8-7-15(11-13(16)2)22-9-5-4-6-10-22;1-3-12-10-15(19(23)24)18(22)20-17(12)14-7-6-13(11-16(14)25-2)21-8-4-5-9-21;1-4-9-7-12(16(21)22)15(20)18-14(9)11-6-5-10(19(2)3)8-13(11)17;1-4-10-9-12(16(20)21)15(19)17-14(10)11-7-5-6-8-13(11)18(2)3/h7-8,11H,3-6,9-10H2,1-2H3,(H,25,26)(H2,21,23,24);7-8,11H,3-6,9-10H2,1-2H3,(H,25,26)(H2,21,23,24);7-8,11-12H,3-6,9-10H2,1-2H3,(H,21,23)(H,24,25);6-7,10-11H,3-5,8-9H2,1-2H3,(H,20,22)(H,23,24);5-8H,4H2,1-3H3,(H,18,20)(H,21,22);5-9H,4H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyOALVIINTGIQDSI-UHFFFAOYSA-N
MW2002.31 g/mol
LogP17.70
Rot. Bonds26

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

6-[4-(dimethylamino)-2-fluorophenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methoxy-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methyl-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methyl-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 159937717) has the molecular formula C111H129FN12O22 and a molecular weight of 2002.31 g/mol. Its IUPAC name is 6-[4-(dimethylamino)-2-fluorophenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methoxy-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methyl-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methyl-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(dimethylamino)-2-fluorophenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methoxy-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methyl-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methyl-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID159937717
Molecular FormulaC111H129FN12O22
Molecular Weight2002.31 g/mol
Exact Mass2000.93
IUPAC Name6-[4-(dimethylamino)-2-fluorophenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methoxy-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methyl-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methyl-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(N3CCCCC3)cc2C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc(N3CCCCC3)cc2OC)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N(C)C)cc1F.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCCC2)cc1OC.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCCCC2)cc1C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccccc1N(C)C
InChIInChI=1S/C20H24N2O5.C20H24N2O4.C20H24N2O3.C19H22N2O4.C16H17FN2O3.C16H18N2O3/c1-3-13-17(21-19(24)16(18(13)23)20(25)26)14-8-7-12(11-15(14)27-2)22-9-5-4-6-10-22;1-3-14-17(21-19(24)16(18(14)23)20(25)26)15-8-7-13(11-12(15)2)22-9-5-4-6-10-22;1-3-14-12-17(20(24)25)19(23)21-18(14)16-8-7-15(11-13(16)2)22-9-5-4-6-10-22;1-3-12-10-15(19(23)24)18(22)20-17(12)14-7-6-13(11-16(14)25-2)21-8-4-5-9-21;1-4-9-7-12(16(21)22)15(20)18-14(9)11-6-5-10(19(2)3)8-13(11)17;1-4-10-9-12(16(20)21)15(19)17-14(10)11-7-5-6-8-13(11)18(2)3/h7-8,11H,3-6,9-10H2,1-2H3,(H,25,26)(H2,21,23,24);7-8,11H,3-6,9-10H2,1-2H3,(H,25,26)(H2,21,23,24);7-8,11-12H,3-6,9-10H2,1-2H3,(H,21,23)(H,24,25);6-7,10-11H,3-5,8-9H2,1-2H3,(H,20,22)(H,23,24);5-8H,4H2,1-3H3,(H,18,20)(H,21,22);5-9H,4H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyOALVIINTGIQDSI-UHFFFAOYSA-N
XLogP17.70
TPSA499.32 Ų
H-Bond Donors14
H-Bond Acceptors22
Rotatable Bonds26
Heavy Atoms146
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002002.31
LogP ≤ 517.70
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1022

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)-2-fluorophenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methoxy-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methyl-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methyl-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-(dimethylamino)-2-fluorophenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methoxy-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methyl-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methyl-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 159937717) is 6-[4-(dimethylamino)-2-fluorophenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methoxy-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methyl-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methyl-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-(dimethylamino)-2-fluorophenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methoxy-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methyl-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methyl-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-(dimethylamino)-2-fluorophenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methoxy-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methyl-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methyl-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc(N3CCCCC3)cc2C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc(N3CCCCC3)cc2OC)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N(C)C)cc1F.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCCC2)cc1OC.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCCCC2)cc1C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccccc1N(C)C.
What is the InChIKey of 6-[4-(dimethylamino)-2-fluorophenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methoxy-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methyl-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methyl-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is OALVIINTGIQDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5.C20H24N2O4.C20H24N2O3.C19H22N2O4.C16H17FN2O3.C16H18N2O3/c1-3-13-17(21-19(24)16(18(13)23)20(25)26)14-8-7-12(11-15(14)27-2)22-9-5-4-6-10-22;1-3-14-17(21-19(24)16(18(14)23)20(25)26)15-8-7-13(11-12(15)2)22-9-5-4-6-10-22;1-3-14-12-17(20(24)25)19(23)21-18(14)16-8-7-15(11-13(16)2)22-9-5-4-6-10-22;1-3-12-10-15(19(23)24)18(22)20-17(12)14-7-6-13(11-16(14)25-2)21-8-4-5-9-21;1-4-9-7-12(16(21)22)15(20)18-14(9)11-6-5-10(19(2)3)8-13(11)17;1-4-10-9-12(16(20)21)15(19)17-14(10)11-7-5-6-8-13(11)18(2)3/h7-8,11H,3-6,9-10H2,1-2H3,(H,25,26)(H2,21,23,24);7-8,11H,3-6,9-10H2,1-2H3,(H,25,26)(H2,21,23,24);7-8,11-12H,3-6,9-10H2,1-2H3,(H,21,23)(H,24,25);6-7,10-11H,3-5,8-9H2,1-2H3,(H,20,22)(H,23,24);5-8H,4H2,1-3H3,(H,18,20)(H,21,22);5-9H,4H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 6-[4-(dimethylamino)-2-fluorophenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methoxy-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methyl-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methyl-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
6-[4-(dimethylamino)-2-fluorophenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methoxy-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methyl-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methyl-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 2002.31 g/mol, XLogP of 17.70, 26 rotatable bonds, 14 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)-2-fluorophenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methoxy-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methyl-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methyl-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 159937717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).