4-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]-1-propan-2-ylpyridine-3-carboxylic acid

C16H21N3O5 — CID 118788697

IUPAC4-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]-1-propan-2-ylpyridine-3-carboxylic acid
SMILESCC(C)n1cc(C(=O)O)c(=O)c(C(=O)NCCN2CCCC2=O)c1
InChIInChI=1S/C16H21N3O5/c1-10(2)19-8-11(14(21)12(9-19)16(23)24)15(22)17-5-7-18-6-3-4-13(18)20/h8-10H,3-7H2,1-2H3,(H,17,22)(H,23,24)
InChIKeyPSQVUXPTRSZVJU-UHFFFAOYSA-N
MW335.36 g/mol
LogP0.48
Rot. Bonds6

About 4-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]-1-propan-2-ylpyridine-3-carboxylic acid

4-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]-1-propan-2-ylpyridine-3-carboxylic acid (PubChem CID 118788697) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]-1-propan-2-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]-1-propan-2-ylpyridine-3-carboxylic acid
PubChem CID118788697
Molecular FormulaC16H21N3O5
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC Name4-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]-1-propan-2-ylpyridine-3-carboxylic acid
SMILESCC(C)n1cc(C(=O)O)c(=O)c(C(=O)NCCN2CCCC2=O)c1
InChIInChI=1S/C16H21N3O5/c1-10(2)19-8-11(14(21)12(9-19)16(23)24)15(22)17-5-7-18-6-3-4-13(18)20/h8-10H,3-7H2,1-2H3,(H,17,22)(H,23,24)
InChIKeyPSQVUXPTRSZVJU-UHFFFAOYSA-N
XLogP0.48
TPSA108.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]benzene-1,3-dicarboxylic acid
CID 134109822
5-cyclopropyl-1-(2-methylpropyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazole-4-carboxamide
CID 138004235
N-[2-(2-oxopiperidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 110722740
1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide;hydrochloride
CID 45284452
2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
CID 166506421
2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide
CID 90650316
4-[4-[(1R)-1-hydroxyethyl]phenyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide
CID 126432469
6-(2-methylpropyl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1H-pyrimidine-4-carboxamide
CID 131916547
2-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide
CID 30483231
N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenoxyfuran-2-carboxamide
CID 90651689
3-chloro-4-fluoro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
CID 90650238
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyridine-3-carboxamide
CID 34842840

Frequently Asked Questions

What is the IUPAC name of 4-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]-1-propan-2-ylpyridine-3-carboxylic acid?
The IUPAC name of 4-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]-1-propan-2-ylpyridine-3-carboxylic acid (CID 118788697) is 4-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]-1-propan-2-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]-1-propan-2-ylpyridine-3-carboxylic acid?
The canonical SMILES for 4-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]-1-propan-2-ylpyridine-3-carboxylic acid is CC(C)n1cc(C(=O)O)c(=O)c(C(=O)NCCN2CCCC2=O)c1.
What is the InChIKey of 4-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]-1-propan-2-ylpyridine-3-carboxylic acid?
The InChIKey is PSQVUXPTRSZVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5/c1-10(2)19-8-11(14(21)12(9-19)16(23)24)15(22)17-5-7-18-6-3-4-13(18)20/h8-10H,3-7H2,1-2H3,(H,17,22)(H,23,24).
What are the key properties of 4-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]-1-propan-2-ylpyridine-3-carboxylic acid?
4-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]-1-propan-2-ylpyridine-3-carboxylic acid has a molecular weight of 335.36 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]-1-propan-2-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 118788697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).