2-(4-oxoimidazolidin-1-yl)pyridine-3-carboxylic acid

C9H9N3O3 — CID 167721300

IUPAC2-(4-oxoimidazolidin-1-yl)pyridine-3-carboxylic acid
SMILESO=C1CN(c2ncccc2C(=O)O)CN1
InChIInChI=1S/C9H9N3O3/c13-7-4-12(5-11-7)8-6(9(14)15)2-1-3-10-8/h1-3H,4-5H2,(H,11,13)(H,14,15)
InChIKeySWPUAWMYJGPSJV-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.33
Rot. Bonds2

About 2-(4-oxoimidazolidin-1-yl)pyridine-3-carboxylic acid

2-(4-oxoimidazolidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 167721300) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-(4-oxoimidazolidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-oxoimidazolidin-1-yl)pyridine-3-carboxylic acid
PubChem CID167721300
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name2-(4-oxoimidazolidin-1-yl)pyridine-3-carboxylic acid
SMILESO=C1CN(c2ncccc2C(=O)O)CN1
InChIInChI=1S/C9H9N3O3/c13-7-4-12(5-11-7)8-6(9(14)15)2-1-3-10-8/h1-3H,4-5H2,(H,11,13)(H,14,15)
InChIKeySWPUAWMYJGPSJV-UHFFFAOYSA-N
XLogP-0.33
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 79181220
2-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 43421741
2-(4-benzylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 18536294
2-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62085076
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 94283741
2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 60965985
2-(3-methyl-5-oxopiperazin-1-yl)pyridine-3-carboxamide
CID 172742275
2-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 114678869
2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129359483
2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 129445709
2-(3-hydroxy-4-methoxypyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 121203872

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoimidazolidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-oxoimidazolidin-1-yl)pyridine-3-carboxylic acid (CID 167721300) is 2-(4-oxoimidazolidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-oxoimidazolidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-oxoimidazolidin-1-yl)pyridine-3-carboxylic acid is O=C1CN(c2ncccc2C(=O)O)CN1.
What is the InChIKey of 2-(4-oxoimidazolidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is SWPUAWMYJGPSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c13-7-4-12(5-11-7)8-6(9(14)15)2-1-3-10-8/h1-3H,4-5H2,(H,11,13)(H,14,15).
What are the key properties of 2-(4-oxoimidazolidin-1-yl)pyridine-3-carboxylic acid?
2-(4-oxoimidazolidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 207.19 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoimidazolidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 167721300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).