5-ethyl-4-hydroxy-6-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-phenyl-1,3-benzoxazol-6-yl)-1H-pyridine-3-carboxylic acid

C87H76N10O22 — CID 158668151

IUPAC5-ethyl-4-hydroxy-6-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-phenyl-1,3-benzoxazol-6-yl)-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3c(c2)oc(=O)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3nc(C)oc3c2)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2cn(C)c3ccccc23)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2nc(-c3ccccc3)oc2c1.CCc1cc(C(=O)O)c(=O)[nH]c1-c1cn(C)c2ccccc12
InChIInChI=1S/C21H16N2O4.C17H16N2O4.C17H16N2O3.C16H14N2O6.C16H14N2O5/c1-2-12-10-15(21(25)26)19(24)23-18(12)14-8-9-16-17(11-14)27-20(22-16)13-6-4-3-5-7-13;1-3-9-14(18-16(21)13(15(9)20)17(22)23)11-8-19(2)12-7-5-4-6-10(11)12;1-3-10-8-12(17(21)22)16(20)18-15(10)13-9-19(2)14-7-5-4-6-11(13)14;1-3-8-12(17-14(20)11(13(8)19)15(21)22)7-4-5-9-10(6-7)24-16(23)18(9)2;1-3-9-13(18-15(20)12(14(9)19)16(21)22)8-4-5-10-11(6-8)23-7(2)17-10/h3-11H,2H2,1H3,(H,23,24)(H,25,26);4-8H,3H2,1-2H3,(H,22,23)(H2,18,20,21);4-9H,3H2,1-2H3,(H,18,20)(H,21,22);4-6H,3H2,1-2H3,(H,21,22)(H2,17,19,20);4-6H,3H2,1-2H3,(H,21,22)(H2,18,19,20)
InChIKeyIDPRFLIUIYPYNT-UHFFFAOYSA-N
MW1613.61 g/mol
LogP13.32
Rot. Bonds16

About 5-ethyl-4-hydroxy-6-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-phenyl-1,3-benzoxazol-6-yl)-1H-pyridine-3-carboxylic acid

5-ethyl-4-hydroxy-6-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-phenyl-1,3-benzoxazol-6-yl)-1H-pyridine-3-carboxylic acid (PubChem CID 158668151) has the molecular formula C87H76N10O22 and a molecular weight of 1613.61 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-6-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-phenyl-1,3-benzoxazol-6-yl)-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-6-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-phenyl-1,3-benzoxazol-6-yl)-1H-pyridine-3-carboxylic acid
PubChem CID158668151
Molecular FormulaC87H76N10O22
Molecular Weight1613.61 g/mol
Exact Mass1612.51
IUPAC Name5-ethyl-4-hydroxy-6-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-phenyl-1,3-benzoxazol-6-yl)-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3c(c2)oc(=O)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3nc(C)oc3c2)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2cn(C)c3ccccc23)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2nc(-c3ccccc3)oc2c1.CCc1cc(C(=O)O)c(=O)[nH]c1-c1cn(C)c2ccccc12
InChIInChI=1S/C21H16N2O4.C17H16N2O4.C17H16N2O3.C16H14N2O6.C16H14N2O5/c1-2-12-10-15(21(25)26)19(24)23-18(12)14-8-9-16-17(11-14)27-20(22-16)13-6-4-3-5-7-13;1-3-9-14(18-16(21)13(15(9)20)17(22)23)11-8-19(2)12-7-5-4-6-10(11)12;1-3-10-8-12(17(21)22)16(20)18-15(10)13-9-19(2)14-7-5-4-6-11(13)14;1-3-8-12(17-14(20)11(13(8)19)15(21)22)7-4-5-9-10(6-7)24-16(23)18(9)2;1-3-9-13(18-15(20)12(14(9)19)16(21)22)8-4-5-10-11(6-8)23-7(2)17-10/h3-11H,2H2,1H3,(H,23,24)(H,25,26);4-8H,3H2,1-2H3,(H,22,23)(H2,18,20,21);4-9H,3H2,1-2H3,(H,18,20)(H,21,22);4-6H,3H2,1-2H3,(H,21,22)(H2,17,19,20);4-6H,3H2,1-2H3,(H,21,22)(H2,18,19,20)
InChIKeyIDPRFLIUIYPYNT-UHFFFAOYSA-N
XLogP13.32
TPSA508.55 Ų
H-Bond Donors13
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001613.61
LogP ≤ 513.32
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1022

Analyze 5-ethyl-4-hydroxy-6-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-phenyl-1,3-benzoxazol-6-yl)-1H-pyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-6-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-phenyl-1,3-benzoxazol-6-yl)-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-4-hydroxy-6-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-phenyl-1,3-benzoxazol-6-yl)-1H-pyridine-3-carboxylic acid (CID 158668151) is 5-ethyl-4-hydroxy-6-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-phenyl-1,3-benzoxazol-6-yl)-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-4-hydroxy-6-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-phenyl-1,3-benzoxazol-6-yl)-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-4-hydroxy-6-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-phenyl-1,3-benzoxazol-6-yl)-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc3c(c2)oc(=O)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3nc(C)oc3c2)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2cn(C)c3ccccc23)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2nc(-c3ccccc3)oc2c1.CCc1cc(C(=O)O)c(=O)[nH]c1-c1cn(C)c2ccccc12.
What is the InChIKey of 5-ethyl-4-hydroxy-6-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-phenyl-1,3-benzoxazol-6-yl)-1H-pyridine-3-carboxylic acid?
The InChIKey is IDPRFLIUIYPYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4.C17H16N2O4.C17H16N2O3.C16H14N2O6.C16H14N2O5/c1-2-12-10-15(21(25)26)19(24)23-18(12)14-8-9-16-17(11-14)27-20(22-16)13-6-4-3-5-7-13;1-3-9-14(18-16(21)13(15(9)20)17(22)23)11-8-19(2)12-7-5-4-6-10(11)12;1-3-10-8-12(17(21)22)16(20)18-15(10)13-9-19(2)14-7-5-4-6-11(13)14;1-3-8-12(17-14(20)11(13(8)19)15(21)22)7-4-5-9-10(6-7)24-16(23)18(9)2;1-3-9-13(18-15(20)12(14(9)19)16(21)22)8-4-5-10-11(6-8)23-7(2)17-10/h3-11H,2H2,1H3,(H,23,24)(H,25,26);4-8H,3H2,1-2H3,(H,22,23)(H2,18,20,21);4-9H,3H2,1-2H3,(H,18,20)(H,21,22);4-6H,3H2,1-2H3,(H,21,22)(H2,17,19,20);4-6H,3H2,1-2H3,(H,21,22)(H2,18,19,20).
What are the key properties of 5-ethyl-4-hydroxy-6-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-phenyl-1,3-benzoxazol-6-yl)-1H-pyridine-3-carboxylic acid?
5-ethyl-4-hydroxy-6-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-phenyl-1,3-benzoxazol-6-yl)-1H-pyridine-3-carboxylic acid has a molecular weight of 1613.61 g/mol, XLogP of 13.32, 16 rotatable bonds, 13 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-6-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-phenyl-1,3-benzoxazol-6-yl)-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 158668151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).