1-(2-pyridin-3-ylethyl)imidazole-4-carboxylic acid

C11H11N3O2 — CID 106717074

IUPAC1-(2-pyridin-3-ylethyl)imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(CCc2cccnc2)cn1
InChIInChI=1S/C11H11N3O2/c15-11(16)10-7-14(8-13-10)5-3-9-2-1-4-12-6-9/h1-2,4,6-8H,3,5H2,(H,15,16)
InChIKeyAGRWSHCAJMUSHM-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.22
Rot. Bonds4

About 1-(2-pyridin-3-ylethyl)imidazole-4-carboxylic acid

1-(2-pyridin-3-ylethyl)imidazole-4-carboxylic acid (PubChem CID 106717074) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 1-(2-pyridin-3-ylethyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-pyridin-3-ylethyl)imidazole-4-carboxylic acid
PubChem CID106717074
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name1-(2-pyridin-3-ylethyl)imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(CCc2cccnc2)cn1
InChIInChI=1S/C11H11N3O2/c15-11(16)10-7-14(8-13-10)5-3-9-2-1-4-12-6-9/h1-2,4,6-8H,3,5H2,(H,15,16)
InChIKeyAGRWSHCAJMUSHM-UHFFFAOYSA-N
XLogP1.22
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-pyridin-3-ylethyl)imidazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
3-(2-pyridin-3-ylethyl)benzimidazole-4-carboxylic acid
CID 115932984
pyrazine-2,5-dicarboxamide;bis(3-pyridin-3-ylpropanoic acid)
CID 122691217
3-(2-phenylethyl)pyridine;hydrochloride
CID 71669595
2-oxo-4-pyridin-3-ylbutanoic acid
CID 12014964
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
1-[2-[[2-(3-hydroxyphenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107497186
1-methyl-3-(pyridin-3-ylmethylcarbamoyl)pyrazole-4-carboxylic acid
CID 25248015
6-oxo-1-(2-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxylic acid
CID 63262742
1-[2-(1,7-naphthyridine-8-carbonylamino)ethyl]imidazole-4-carboxylic acid
CID 166389491
1-[2-[[2-(3-aminophenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107500327
3-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]propanoic acid
CID 63262981

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-3-ylethyl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(2-pyridin-3-ylethyl)imidazole-4-carboxylic acid (CID 106717074) is 1-(2-pyridin-3-ylethyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-pyridin-3-ylethyl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(2-pyridin-3-ylethyl)imidazole-4-carboxylic acid is O=C(O)c1cn(CCc2cccnc2)cn1.
What is the InChIKey of 1-(2-pyridin-3-ylethyl)imidazole-4-carboxylic acid?
The InChIKey is AGRWSHCAJMUSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c15-11(16)10-7-14(8-13-10)5-3-9-2-1-4-12-6-9/h1-2,4,6-8H,3,5H2,(H,15,16).
What are the key properties of 1-(2-pyridin-3-ylethyl)imidazole-4-carboxylic acid?
1-(2-pyridin-3-ylethyl)imidazole-4-carboxylic acid has a molecular weight of 217.23 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-3-ylethyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 106717074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).