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

C112H126F2N12O24 — CID 160502863

IUPAC5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(4-methoxy-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(N3CCCC3)cc2OC)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc(N3CCCCC3)cc2F)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc(OC)cc2N2CCCC2)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccccc2N2CCCC2)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCCCC2)cc1F.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccccc1N1CCCC1
InChIInChI=1S/C19H21FN2O4.C19H21FN2O3.2C19H22N2O5.C18H20N2O4.C18H20N2O3/c1-2-12-16(21-18(24)15(17(12)23)19(25)26)13-7-6-11(10-14(13)20)22-8-4-3-5-9-22;1-2-12-10-15(19(24)25)18(23)21-17(12)14-7-6-13(11-16(14)20)22-8-4-3-5-9-22;1-3-12-16(20-18(23)15(17(12)22)19(24)25)13-7-6-11(26-2)10-14(13)21-8-4-5-9-21;1-3-12-16(20-18(23)15(17(12)22)19(24)25)13-7-6-11(10-14(13)26-2)21-8-4-5-9-21;1-2-11-15(19-17(22)14(16(11)21)18(23)24)12-7-3-4-8-13(12)20-9-5-6-10-20;1-2-12-11-14(18(22)23)17(21)19-16(12)13-7-3-4-8-15(13)20-9-5-6-10-20/h6-7,10H,2-5,8-9H2,1H3,(H,25,26)(H2,21,23,24);6-7,10-11H,2-5,8-9H2,1H3,(H,21,23)(H,24,25);2*6-7,10H,3-5,8-9H2,1-2H3,(H,24,25)(H2,20,22,23);3-4,7-8H,2,5-6,9-10H2,1H3,(H,23,24)(H2,19,21,22);3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,19,21)(H,22,23)
InChIKeyQRZYKKKTIJFINF-UHFFFAOYSA-N
MW2062.30 g/mol
LogP17.31
Rot. Bonds26

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

5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(4-methoxy-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid (PubChem CID 160502863) has the molecular formula C112H126F2N12O24 and a molecular weight of 2062.30 g/mol. Its IUPAC name is 5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(4-methoxy-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(4-methoxy-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid
PubChem CID160502863
Molecular FormulaC112H126F2N12O24
Molecular Weight2062.30 g/mol
Exact Mass2060.90
IUPAC Name5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(4-methoxy-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(N3CCCC3)cc2OC)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc(N3CCCCC3)cc2F)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc(OC)cc2N2CCCC2)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccccc2N2CCCC2)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCCCC2)cc1F.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccccc1N1CCCC1
InChIInChI=1S/C19H21FN2O4.C19H21FN2O3.2C19H22N2O5.C18H20N2O4.C18H20N2O3/c1-2-12-16(21-18(24)15(17(12)23)19(25)26)13-7-6-11(10-14(13)20)22-8-4-3-5-9-22;1-2-12-10-15(19(24)25)18(23)21-17(12)14-7-6-13(11-16(14)20)22-8-4-3-5-9-22;1-3-12-16(20-18(23)15(17(12)22)19(24)25)13-7-6-11(26-2)10-14(13)21-8-4-5-9-21;1-3-12-16(20-18(23)15(17(12)22)19(24)25)13-7-6-11(10-14(13)26-2)21-8-4-5-9-21;1-2-11-15(19-17(22)14(16(11)21)18(23)24)12-7-3-4-8-13(12)20-9-5-6-10-20;1-2-12-11-14(18(22)23)17(21)19-16(12)13-7-3-4-8-15(13)20-9-5-6-10-20/h6-7,10H,2-5,8-9H2,1H3,(H,25,26)(H2,21,23,24);6-7,10-11H,2-5,8-9H2,1H3,(H,21,23)(H,24,25);2*6-7,10H,3-5,8-9H2,1-2H3,(H,24,25)(H2,20,22,23);3-4,7-8H,2,5-6,9-10H2,1H3,(H,23,24)(H2,19,21,22);3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,19,21)(H,22,23)
InChIKeyQRZYKKKTIJFINF-UHFFFAOYSA-N
XLogP17.31
TPSA539.78 Ų
H-Bond Donors16
H-Bond Acceptors24
Rotatable Bonds26
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002062.30
LogP ≤ 517.31
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1024

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(4-methoxy-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(4-methoxy-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid (CID 160502863) is 5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(4-methoxy-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(4-methoxy-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(4-methoxy-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc(N3CCCC3)cc2OC)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc(N3CCCCC3)cc2F)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc(OC)cc2N2CCCC2)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccccc2N2CCCC2)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCCCC2)cc1F.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccccc1N1CCCC1.
What is the InChIKey of 5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(4-methoxy-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid?
The InChIKey is QRZYKKKTIJFINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4.C19H21FN2O3.2C19H22N2O5.C18H20N2O4.C18H20N2O3/c1-2-12-16(21-18(24)15(17(12)23)19(25)26)13-7-6-11(10-14(13)20)22-8-4-3-5-9-22;1-2-12-10-15(19(24)25)18(23)21-17(12)14-7-6-13(11-16(14)20)22-8-4-3-5-9-22;1-3-12-16(20-18(23)15(17(12)22)19(24)25)13-7-6-11(26-2)10-14(13)21-8-4-5-9-21;1-3-12-16(20-18(23)15(17(12)22)19(24)25)13-7-6-11(10-14(13)26-2)21-8-4-5-9-21;1-2-11-15(19-17(22)14(16(11)21)18(23)24)12-7-3-4-8-13(12)20-9-5-6-10-20;1-2-12-11-14(18(22)23)17(21)19-16(12)13-7-3-4-8-15(13)20-9-5-6-10-20/h6-7,10H,2-5,8-9H2,1H3,(H,25,26)(H2,21,23,24);6-7,10-11H,2-5,8-9H2,1H3,(H,21,23)(H,24,25);2*6-7,10H,3-5,8-9H2,1-2H3,(H,24,25)(H2,20,22,23);3-4,7-8H,2,5-6,9-10H2,1H3,(H,23,24)(H2,19,21,22);3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(4-methoxy-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid?
5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(4-methoxy-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid has a molecular weight of 2062.30 g/mol, XLogP of 17.31, 26 rotatable bonds, 16 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(4-methoxy-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 160502863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).