2-[(2-oxoimidazolidin-1-yl)methyl]pyridine-4-carboxylic acid

C10H11N3O3 — CID 114324861

IUPAC2-[(2-oxoimidazolidin-1-yl)methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CN2CCNC2=O)c1
InChIInChI=1S/C10H11N3O3/c14-9(15)7-1-2-11-8(5-7)6-13-4-3-12-10(13)16/h1-2,5H,3-4,6H2,(H,12,16)(H,14,15)
InChIKeyLKONHDBAUBZQPN-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.31
Rot. Bonds3

About 2-[(2-oxoimidazolidin-1-yl)methyl]pyridine-4-carboxylic acid

2-[(2-oxoimidazolidin-1-yl)methyl]pyridine-4-carboxylic acid (PubChem CID 114324861) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-[(2-oxoimidazolidin-1-yl)methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-oxoimidazolidin-1-yl)methyl]pyridine-4-carboxylic acid
PubChem CID114324861
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name2-[(2-oxoimidazolidin-1-yl)methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CN2CCNC2=O)c1
InChIInChI=1S/C10H11N3O3/c14-9(15)7-1-2-11-8(5-7)6-13-4-3-12-10(13)16/h1-2,5H,3-4,6H2,(H,12,16)(H,14,15)
InChIKeyLKONHDBAUBZQPN-UHFFFAOYSA-N
XLogP0.31
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-oxo-1,3-diazinan-1-yl)methyl]pyridine-4-carboxylic acid
CID 114324863
2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-4-carboxylic acid
CID 114324862
2-(pyrrol-1-ylmethyl)pyridine-4-carboxylic acid
CID 114324425
1-[(2-methylpyrimidin-4-yl)methyl]imidazolidin-2-one
CID 115370501
2-(5-azaspiro[2.3]hexan-5-ylmethyl)pyridine-4-carboxylic acid
CID 114325415
2-[(1,3-dioxoisoindol-2-yl)methyl]pyridine-4-carboxylic acid
CID 114324415
2-(2-azaspiro[3.3]heptan-2-ylmethyl)pyridine-4-carboxylic acid
CID 114325420
2-[(2-oxoimidazolidin-1-yl)methyl]benzoic acid
CID 83822306
2-[(1,1-dioxothiazinan-2-yl)methyl]pyridine-4-carboxylic acid
CID 116814508
2-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324081
2-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyridine-4-carboxylic acid
CID 113277697
1-[(6-methyl-2-pyridinyl)methyl]imidazolidin-2-one
CID 115370613

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxoimidazolidin-1-yl)methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(2-oxoimidazolidin-1-yl)methyl]pyridine-4-carboxylic acid (CID 114324861) is 2-[(2-oxoimidazolidin-1-yl)methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(2-oxoimidazolidin-1-yl)methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(2-oxoimidazolidin-1-yl)methyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(CN2CCNC2=O)c1.
What is the InChIKey of 2-[(2-oxoimidazolidin-1-yl)methyl]pyridine-4-carboxylic acid?
The InChIKey is LKONHDBAUBZQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c14-9(15)7-1-2-11-8(5-7)6-13-4-3-12-10(13)16/h1-2,5H,3-4,6H2,(H,12,16)(H,14,15).
What are the key properties of 2-[(2-oxoimidazolidin-1-yl)methyl]pyridine-4-carboxylic acid?
2-[(2-oxoimidazolidin-1-yl)methyl]pyridine-4-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxoimidazolidin-1-yl)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114324861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).