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

C17H17N3O4 — CID 71292091

IUPAC6-(3-amino-1-methylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3c(c2)c(N)cn3C)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C17H17N3O4/c1-3-9-14(19-16(22)13(15(9)21)17(23)24)8-4-5-12-10(6-8)11(18)7-20(12)2/h4-7H,3,18H2,1-2H3,(H,23,24)(H2,19,21,22)
InChIKeyYOWSVPYBIVDTAW-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.08
Rot. Bonds3

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

6-(3-amino-1-methylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71292091) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 6-(3-amino-1-methylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-amino-1-methylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71292091
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name6-(3-amino-1-methylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3c(c2)c(N)cn3C)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C17H17N3O4/c1-3-9-14(19-16(22)13(15(9)21)17(23)24)8-4-5-12-10(6-8)11(18)7-20(12)2/h4-7H,3,18H2,1-2H3,(H,23,24)(H2,19,21,22)
InChIKeyYOWSVPYBIVDTAW-UHFFFAOYSA-N
XLogP2.08
TPSA121.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

6-[3-amino-2-(dimethylamino)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71292094
5-ethyl-4-hydroxy-6-(1-methylindazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 118951331
5-ethyl-4-hydroxy-6-(1H-indazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284840
6-[2-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
CID 118951030
6-(2-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
CID 71284408
6-[2-(aminomethyl)-1H-indol-6-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
CID 118951311
6-[4-(diethylamino)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281794
5-ethyl-4-hydroxy-6-[1-methyl-2-[[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284821
6-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 118950974
5-ethyl-4-hydroxy-6-(2-methyl-1,3,4,5-tetrahydroindeno[1,2-c]pyridin-7-yl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 162021877
5-ethyl-4-hydroxy-6-[1-methyl-2-[(octylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284753
5-ethyl-4-hydroxy-6-[2-[[2-methoxyethyl(methyl)amino]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 71285097

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-1-methylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-(3-amino-1-methylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (CID 71292091) is 6-(3-amino-1-methylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-amino-1-methylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-amino-1-methylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc3c(c2)c(N)cn3C)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 6-(3-amino-1-methylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is YOWSVPYBIVDTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-3-9-14(19-16(22)13(15(9)21)17(23)24)8-4-5-12-10(6-8)11(18)7-20(12)2/h4-7H,3,18H2,1-2H3,(H,23,24)(H2,19,21,22).
What are the key properties of 6-(3-amino-1-methylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
6-(3-amino-1-methylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 327.34 g/mol, XLogP of 2.08, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-1-methylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71292091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).