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

C16H14N2O5 — CID 71284617

IUPAC4-hydroxy-5-methoxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCOc1c(-c2ccc3c(ccn3C)c2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C16H14N2O5/c1-18-6-5-8-7-9(3-4-10(8)18)12-14(23-2)13(19)11(16(21)22)15(20)17-12/h3-7H,1-2H3,(H,21,22)(H2,17,19,20)
InChIKeyDJUWJLHJZXSKQT-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.95
Rot. Bonds3

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

4-hydroxy-5-methoxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71284617) has the molecular formula C16H14N2O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is 4-hydroxy-5-methoxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-5-methoxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71284617
Molecular FormulaC16H14N2O5
Molecular Weight314.30 g/mol
Exact Mass314.09
IUPAC Name4-hydroxy-5-methoxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCOc1c(-c2ccc3c(ccn3C)c2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C16H14N2O5/c1-18-6-5-8-7-9(3-4-10(8)18)12-14(23-2)13(19)11(16(21)22)15(20)17-12/h3-7H,1-2H3,(H,21,22)(H2,17,19,20)
InChIKeyDJUWJLHJZXSKQT-UHFFFAOYSA-N
XLogP1.95
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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
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
(2Z)-3-(1-acetylindol-3-yl)-2-acetyloxyprop-2-enoic acid
CID 698101
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

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methoxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-hydroxy-5-methoxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 71284617) is 4-hydroxy-5-methoxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-5-methoxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-5-methoxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid is COc1c(-c2ccc3c(ccn3C)c2)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 4-hydroxy-5-methoxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is DJUWJLHJZXSKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5/c1-18-6-5-8-7-9(3-4-10(8)18)12-14(23-2)13(19)11(16(21)22)15(20)17-12/h3-7H,1-2H3,(H,21,22)(H2,17,19,20).
What are the key properties of 4-hydroxy-5-methoxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
4-hydroxy-5-methoxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 314.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methoxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71284617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).