5-ethyl-2-oxo-6-[4-(3-oxo-2-azaspiro[4.5]decan-2-yl)phenyl]-1H-pyridine-3-carboxylic acid

C23H26N2O4 — CID 71281809

IUPAC5-ethyl-2-oxo-6-[4-(3-oxo-2-azaspiro[4.5]decan-2-yl)phenyl]-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CC3(CCCCC3)CC2=O)cc1
InChIInChI=1S/C23H26N2O4/c1-2-15-12-18(22(28)29)21(27)24-20(15)16-6-8-17(9-7-16)25-14-23(13-19(25)26)10-4-3-5-11-23/h6-9,12H,2-5,10-11,13-14H2,1H3,(H,24,27)(H,28,29)
InChIKeyMJJREIXRMGZNRC-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.99
Rot. Bonds4

About 5-ethyl-2-oxo-6-[4-(3-oxo-2-azaspiro[4.5]decan-2-yl)phenyl]-1H-pyridine-3-carboxylic acid

5-ethyl-2-oxo-6-[4-(3-oxo-2-azaspiro[4.5]decan-2-yl)phenyl]-1H-pyridine-3-carboxylic acid (PubChem CID 71281809) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 5-ethyl-2-oxo-6-[4-(3-oxo-2-azaspiro[4.5]decan-2-yl)phenyl]-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-2-oxo-6-[4-(3-oxo-2-azaspiro[4.5]decan-2-yl)phenyl]-1H-pyridine-3-carboxylic acid
PubChem CID71281809
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name5-ethyl-2-oxo-6-[4-(3-oxo-2-azaspiro[4.5]decan-2-yl)phenyl]-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CC3(CCCCC3)CC2=O)cc1
InChIInChI=1S/C23H26N2O4/c1-2-15-12-18(22(28)29)21(27)24-20(15)16-6-8-17(9-7-16)25-14-23(13-19(25)26)10-4-3-5-11-23/h6-9,12H,2-5,10-11,13-14H2,1H3,(H,24,27)(H,28,29)
InChIKeyMJJREIXRMGZNRC-UHFFFAOYSA-N
XLogP3.99
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-oxo-6-[4-(3-oxo-2-azaspiro[4.5]decan-2-yl)phenyl]-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-2-oxo-6-[4-(3-oxo-2-azaspiro[4.5]decan-2-yl)phenyl]-1H-pyridine-3-carboxylic acid (CID 71281809) is 5-ethyl-2-oxo-6-[4-(3-oxo-2-azaspiro[4.5]decan-2-yl)phenyl]-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-2-oxo-6-[4-(3-oxo-2-azaspiro[4.5]decan-2-yl)phenyl]-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-2-oxo-6-[4-(3-oxo-2-azaspiro[4.5]decan-2-yl)phenyl]-1H-pyridine-3-carboxylic acid is CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CC3(CCCCC3)CC2=O)cc1.
What is the InChIKey of 5-ethyl-2-oxo-6-[4-(3-oxo-2-azaspiro[4.5]decan-2-yl)phenyl]-1H-pyridine-3-carboxylic acid?
The InChIKey is MJJREIXRMGZNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-2-15-12-18(22(28)29)21(27)24-20(15)16-6-8-17(9-7-16)25-14-23(13-19(25)26)10-4-3-5-11-23/h6-9,12H,2-5,10-11,13-14H2,1H3,(H,24,27)(H,28,29).
What are the key properties of 5-ethyl-2-oxo-6-[4-(3-oxo-2-azaspiro[4.5]decan-2-yl)phenyl]-1H-pyridine-3-carboxylic acid?
5-ethyl-2-oxo-6-[4-(3-oxo-2-azaspiro[4.5]decan-2-yl)phenyl]-1H-pyridine-3-carboxylic acid has a molecular weight of 394.47 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-oxo-6-[4-(3-oxo-2-azaspiro[4.5]decan-2-yl)phenyl]-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71281809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).