5-ethyl-6-(2-fluoro-4-methoxyphenyl)-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-2-oxo-6-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid

C50H53FN4O12 — CID 89423007

IUPAC5-ethyl-6-(2-fluoro-4-methoxyphenyl)-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-2-oxo-6-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(OC)cc2C)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(OC)cc1F.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccccc1N1CCCCC1
InChIInChI=1S/C19H22N2O3.C16H17NO5.C15H14FNO4/c1-2-13-12-15(19(23)24)18(22)20-17(13)14-8-4-5-9-16(14)21-10-6-3-7-11-21;1-4-10-13(11-6-5-9(22-3)7-8(11)2)17-15(19)12(14(10)18)16(20)21;1-3-8-6-11(15(19)20)14(18)17-13(8)10-5-4-9(21-2)7-12(10)16/h4-5,8-9,12H,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);4-7H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyBVAAVUBOOPBWNK-UHFFFAOYSA-N
MW920.99 g/mol
LogP8.07
Rot. Bonds12

About 5-ethyl-6-(2-fluoro-4-methoxyphenyl)-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-2-oxo-6-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid

5-ethyl-6-(2-fluoro-4-methoxyphenyl)-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-2-oxo-6-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid (PubChem CID 89423007) has the molecular formula C50H53FN4O12 and a molecular weight of 920.99 g/mol. Its IUPAC name is 5-ethyl-6-(2-fluoro-4-methoxyphenyl)-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-2-oxo-6-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-6-(2-fluoro-4-methoxyphenyl)-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-2-oxo-6-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid
PubChem CID89423007
Molecular FormulaC50H53FN4O12
Molecular Weight920.99 g/mol
Exact Mass920.36
IUPAC Name5-ethyl-6-(2-fluoro-4-methoxyphenyl)-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-2-oxo-6-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(OC)cc2C)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(OC)cc1F.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccccc1N1CCCCC1
InChIInChI=1S/C19H22N2O3.C16H17NO5.C15H14FNO4/c1-2-13-12-15(19(23)24)18(22)20-17(13)14-8-4-5-9-16(14)21-10-6-3-7-11-21;1-4-10-13(11-6-5-9(22-3)7-8(11)2)17-15(19)12(14(10)18)16(20)21;1-3-8-6-11(15(19)20)14(18)17-13(8)10-5-4-9(21-2)7-12(10)16/h4-5,8-9,12H,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);4-7H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyBVAAVUBOOPBWNK-UHFFFAOYSA-N
XLogP8.07
TPSA252.41 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500920.99
LogP ≤ 58.07
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(2-fluoro-4-methoxyphenyl)-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-2-oxo-6-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-6-(2-fluoro-4-methoxyphenyl)-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-2-oxo-6-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid (CID 89423007) is 5-ethyl-6-(2-fluoro-4-methoxyphenyl)-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-2-oxo-6-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-6-(2-fluoro-4-methoxyphenyl)-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-2-oxo-6-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-6-(2-fluoro-4-methoxyphenyl)-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-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.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(OC)cc1F.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccccc1N1CCCCC1.
What is the InChIKey of 5-ethyl-6-(2-fluoro-4-methoxyphenyl)-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-2-oxo-6-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid?
The InChIKey is BVAAVUBOOPBWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3.C16H17NO5.C15H14FNO4/c1-2-13-12-15(19(23)24)18(22)20-17(13)14-8-4-5-9-16(14)21-10-6-3-7-11-21;1-4-10-13(11-6-5-9(22-3)7-8(11)2)17-15(19)12(14(10)18)16(20)21;1-3-8-6-11(15(19)20)14(18)17-13(8)10-5-4-9(21-2)7-12(10)16/h4-5,8-9,12H,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);4-7H,3H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-ethyl-6-(2-fluoro-4-methoxyphenyl)-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-2-oxo-6-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid?
5-ethyl-6-(2-fluoro-4-methoxyphenyl)-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-2-oxo-6-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid has a molecular weight of 920.99 g/mol, XLogP of 8.07, 12 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(2-fluoro-4-methoxyphenyl)-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-2-oxo-6-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 89423007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).