6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid

C21H23N3O4 — CID 71282020

IUPAC6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3c(c2)cc(CN2CCC2)n3C)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C21H23N3O4/c1-3-15-18(22-20(26)17(19(15)25)21(27)28)12-5-6-16-13(9-12)10-14(23(16)2)11-24-7-4-8-24/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,27,28)(H2,22,25,26)
InChIKeyGPCOFPLGNMOVRO-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.71
Rot. Bonds5

About 6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid

6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71282020) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71282020
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3c(c2)cc(CN2CCC2)n3C)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C21H23N3O4/c1-3-15-18(22-20(26)17(19(15)25)21(27)28)12-5-6-16-13(9-12)10-14(23(16)2)11-24-7-4-8-24/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,27,28)(H2,22,25,26)
InChIKeyGPCOFPLGNMOVRO-UHFFFAOYSA-N
XLogP2.71
TPSA98.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (CID 71282020) is 6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc3c(c2)cc(CN2CCC2)n3C)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is GPCOFPLGNMOVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-3-15-18(22-20(26)17(19(15)25)21(27)28)12-5-6-16-13(9-12)10-14(23(16)2)11-24-7-4-8-24/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,27,28)(H2,22,25,26).
What are the key properties of 6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 381.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71282020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).