6-(1,2-dimethylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid

C18H18N2O4 — CID 71282073

IUPAC6-(1,2-dimethylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3c(c2)cc(C)n3C)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C18H18N2O4/c1-4-12-15(19-17(22)14(16(12)21)18(23)24)10-5-6-13-11(8-10)7-9(2)20(13)3/h5-8H,4H2,1-3H3,(H,23,24)(H2,19,21,22)
InChIKeyZBRHVMJXBOUAJM-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.81
Rot. Bonds3

About 6-(1,2-dimethylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid

6-(1,2-dimethylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71282073) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 6-(1,2-dimethylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(1,2-dimethylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71282073
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name6-(1,2-dimethylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3c(c2)cc(C)n3C)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C18H18N2O4/c1-4-12-15(19-17(22)14(16(12)21)18(23)24)10-5-6-13-11(8-10)7-9(2)20(13)3/h5-8H,4H2,1-3H3,(H,23,24)(H2,19,21,22)
InChIKeyZBRHVMJXBOUAJM-UHFFFAOYSA-N
XLogP2.81
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1,2-Dimethyl-5-indolyl)methylamino]-4-oxobutanoic acid
CID 4419780
5-ethyl-6-[2-(ethylaminomethyl)-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71282057
15-(Ethylaminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid
CID 71284435
6-Hydroxy-14-methyl-15-(methylaminomethyl)-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid
CID 71284712
6-Hydroxy-15-methyl-14-(methylaminomethyl)-4-oxo-3,15-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),13,17-hexaene-5-carboxylic acid
CID 71284816
16-(Ethylaminomethyl)-6-hydroxy-15-methyl-4-oxo-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid
CID 71285194
9-(ethylaminomethyl)-4-hydroxy-8-methyl-2-oxo-5,6-dihydro-1H-indolo[6,5-h]quinoline-3-carboxylic acid
CID 118865361
6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281670
6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71282020
6-Hydroxy-14-methyl-4-oxo-15-[(propan-2-ylamino)methyl]-3,10,14-triazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid
CID 71282054
6-Hydroxy-14-methyl-15-(methylaminomethyl)-4-oxo-3,10,14-triazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid
CID 71282159
6-[2-[(tert-butylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284271

Frequently Asked Questions

What is the IUPAC name of 6-(1,2-dimethylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-(1,2-dimethylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (CID 71282073) is 6-(1,2-dimethylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(1,2-dimethylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-(1,2-dimethylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc3c(c2)cc(C)n3C)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 6-(1,2-dimethylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is ZBRHVMJXBOUAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-4-12-15(19-17(22)14(16(12)21)18(23)24)10-5-6-13-11(8-10)7-9(2)20(13)3/h5-8H,4H2,1-3H3,(H,23,24)(H2,19,21,22).
What are the key properties of 6-(1,2-dimethylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
6-(1,2-dimethylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 326.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2-dimethylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71282073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).