5-hydroxy-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]-4-oxopyridine-3-carboxylic acid

C21H22N2O4 — CID 58067617

IUPAC5-hydroxy-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]-4-oxopyridine-3-carboxylic acid
SMILESCn1cc(C2(Cn3cc(O)c(=O)c(C(=O)O)c3)CCCC2)c2ccccc21
InChIInChI=1S/C21H22N2O4/c1-22-11-16(14-6-2-3-7-17(14)22)21(8-4-5-9-21)13-23-10-15(20(26)27)19(25)18(24)12-23/h2-3,6-7,10-12,24H,4-5,8-9,13H2,1H3,(H,26,27)
InChIKeyWMAMXKQVCBKJQF-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.26
Rot. Bonds4

About 5-hydroxy-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]-4-oxopyridine-3-carboxylic acid

5-hydroxy-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]-4-oxopyridine-3-carboxylic acid (PubChem CID 58067617) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-hydroxy-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]-4-oxopyridine-3-carboxylic acid
PubChem CID58067617
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name5-hydroxy-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]-4-oxopyridine-3-carboxylic acid
SMILESCn1cc(C2(Cn3cc(O)c(=O)c(C(=O)O)c3)CCCC2)c2ccccc21
InChIInChI=1S/C21H22N2O4/c1-22-11-16(14-6-2-3-7-17(14)22)21(8-4-5-9-21)13-23-10-15(20(26)27)19(25)18(24)12-23/h2-3,6-7,10-12,24H,4-5,8-9,13H2,1H3,(H,26,27)
InChIKeyWMAMXKQVCBKJQF-UHFFFAOYSA-N
XLogP3.26
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-hydroxy-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]-4-oxopyridine-3-carboxylic acid (CID 58067617) is 5-hydroxy-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]-4-oxopyridine-3-carboxylic acid is Cn1cc(C2(Cn3cc(O)c(=O)c(C(=O)O)c3)CCCC2)c2ccccc21.
What is the InChIKey of 5-hydroxy-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]-4-oxopyridine-3-carboxylic acid?
The InChIKey is WMAMXKQVCBKJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-22-11-16(14-6-2-3-7-17(14)22)21(8-4-5-9-21)13-23-10-15(20(26)27)19(25)18(24)12-23/h2-3,6-7,10-12,24H,4-5,8-9,13H2,1H3,(H,26,27).
What are the key properties of 5-hydroxy-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]-4-oxopyridine-3-carboxylic acid?
5-hydroxy-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]-4-oxopyridine-3-carboxylic acid has a molecular weight of 366.42 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 58067617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).