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

C36H36N4O7 — CID 118950994

IUPAC5-ethyl-6-(1-ethylindol-5-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-ethylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3c(ccn3CC)c2)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(ccn2CC)c1
InChIInChI=1S/C18H18N2O4.C18H18N2O3/c1-3-12-15(19-17(22)14(16(12)21)18(23)24)11-5-6-13-10(9-11)7-8-20(13)4-2;1-3-11-10-14(18(22)23)17(21)19-16(11)13-5-6-15-12(9-13)7-8-20(15)4-2/h5-9H,3-4H2,1-2H3,(H,23,24)(H2,19,21,22);5-10H,3-4H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyKMTFMAVMBFZVBR-UHFFFAOYSA-N
MW636.71 g/mol
LogP6.26
Rot. Bonds8

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

5-ethyl-6-(1-ethylindol-5-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-ethylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 118950994) has the molecular formula C36H36N4O7 and a molecular weight of 636.71 g/mol. Its IUPAC name is 5-ethyl-6-(1-ethylindol-5-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-ethylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-6-(1-ethylindol-5-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-ethylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID118950994
Molecular FormulaC36H36N4O7
Molecular Weight636.71 g/mol
Exact Mass636.26
IUPAC Name5-ethyl-6-(1-ethylindol-5-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-ethylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3c(ccn3CC)c2)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(ccn2CC)c1
InChIInChI=1S/C18H18N2O4.C18H18N2O3/c1-3-12-15(19-17(22)14(16(12)21)18(23)24)11-5-6-13-10(9-11)7-8-20(13)4-2;1-3-11-10-14(18(22)23)17(21)19-16(11)13-5-6-15-12(9-13)7-8-20(15)4-2/h5-9H,3-4H2,1-2H3,(H,23,24)(H2,19,21,22);5-10H,3-4H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyKMTFMAVMBFZVBR-UHFFFAOYSA-N
XLogP6.26
TPSA170.41 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.71
LogP ≤ 56.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 5-ethyl-6-(1-ethylindol-5-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-ethylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid with MolForge

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Related Compounds

5-ethyl-6-[2-(ethylaminomethyl)-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71282057
N,N-Diethyltryptamine fumarate
CID 60196334
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-(1,2-dimethylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71282073
6-[2-[(tert-butylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284271
5-ethyl-4-hydroxy-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284336
5-ethyl-4-hydroxy-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylic acid
CID 71284390
5-ethyl-4-hydroxy-6-[1-methyl-2-[(propan-2-ylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284422
6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid
CID 71284607
5-ethyl-4-hydroxy-6-[1-methyl-2-(methylaminomethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284627
6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284801

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(1-ethylindol-5-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-ethylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-6-(1-ethylindol-5-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-ethylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 118950994) is 5-ethyl-6-(1-ethylindol-5-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-ethylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-6-(1-ethylindol-5-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-ethylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-6-(1-ethylindol-5-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-ethylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc3c(ccn3CC)c2)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(ccn2CC)c1.
What is the InChIKey of 5-ethyl-6-(1-ethylindol-5-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-ethylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is KMTFMAVMBFZVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4.C18H18N2O3/c1-3-12-15(19-17(22)14(16(12)21)18(23)24)11-5-6-13-10(9-11)7-8-20(13)4-2;1-3-11-10-14(18(22)23)17(21)19-16(11)13-5-6-15-12(9-13)7-8-20(15)4-2/h5-9H,3-4H2,1-2H3,(H,23,24)(H2,19,21,22);5-10H,3-4H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 5-ethyl-6-(1-ethylindol-5-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-ethylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
5-ethyl-6-(1-ethylindol-5-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-ethylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 636.71 g/mol, XLogP of 6.26, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(1-ethylindol-5-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-ethylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 118950994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).