2-(5-oxo-4-propan-2-yl-1,4-dihydroimidazol-2-yl)pyridine-3-carboxylic acid

C12H13N3O3 — CID 151401980

IUPAC2-(5-oxo-4-propan-2-yl-1,4-dihydroimidazol-2-yl)pyridine-3-carboxylic acid
SMILESCC(C)C1N=C(c2ncccc2C(=O)O)NC1=O
InChIInChI=1S/C12H13N3O3/c1-6(2)8-11(16)15-10(14-8)9-7(12(17)18)4-3-5-13-9/h3-6,8H,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyOWRLYWYJVIQFQE-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.68
Rot. Bonds3

About 2-(5-oxo-4-propan-2-yl-1,4-dihydroimidazol-2-yl)pyridine-3-carboxylic acid

2-(5-oxo-4-propan-2-yl-1,4-dihydroimidazol-2-yl)pyridine-3-carboxylic acid (PubChem CID 151401980) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-(5-oxo-4-propan-2-yl-1,4-dihydroimidazol-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(5-oxo-4-propan-2-yl-1,4-dihydroimidazol-2-yl)pyridine-3-carboxylic acid
PubChem CID151401980
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-(5-oxo-4-propan-2-yl-1,4-dihydroimidazol-2-yl)pyridine-3-carboxylic acid
SMILESCC(C)C1N=C(c2ncccc2C(=O)O)NC1=O
InChIInChI=1S/C12H13N3O3/c1-6(2)8-11(16)15-10(14-8)9-7(12(17)18)4-3-5-13-9/h3-6,8H,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyOWRLYWYJVIQFQE-UHFFFAOYSA-N
XLogP0.68
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-propan-2-yl-2-pyridin-2-yl-1,4-dihydroimidazol-5-one
CID 106953112
2-(4-oxo-1,3-diazaspiro[4.5]dec-1-en-2-yl)pyridine-3-carboxylic acid
CID 13474730
2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxamide
CID 13250671
2-(3-bromophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
CID 106953186
2-(4-propan-2-yloxyphenyl)pyridine-3-carboxylic acid
CID 82089202
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685
5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;bis(2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid)
CID 173366406
ethyl 2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]pyridine-3-carboxylate
CID 51674642
2-(2-methylpropyl)pyridine-3-carboxylic acid
CID 83914927
2-(5-methyl-4-oxo-5-propan-2-ylimidazol-1-yl)pyridine-3-carboxylic acid
CID 154248116
2-methylpyridine-3-carboxylic acid;hydroiodide
CID 70394156
2,3-dimethylpyridine;2-pyridin-2-ylpyridine-3-carboxylic acid;ruthenium
CID 175593877

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-4-propan-2-yl-1,4-dihydroimidazol-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(5-oxo-4-propan-2-yl-1,4-dihydroimidazol-2-yl)pyridine-3-carboxylic acid (CID 151401980) is 2-(5-oxo-4-propan-2-yl-1,4-dihydroimidazol-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(5-oxo-4-propan-2-yl-1,4-dihydroimidazol-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(5-oxo-4-propan-2-yl-1,4-dihydroimidazol-2-yl)pyridine-3-carboxylic acid is CC(C)C1N=C(c2ncccc2C(=O)O)NC1=O.
What is the InChIKey of 2-(5-oxo-4-propan-2-yl-1,4-dihydroimidazol-2-yl)pyridine-3-carboxylic acid?
The InChIKey is OWRLYWYJVIQFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-6(2)8-11(16)15-10(14-8)9-7(12(17)18)4-3-5-13-9/h3-6,8H,1-2H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-(5-oxo-4-propan-2-yl-1,4-dihydroimidazol-2-yl)pyridine-3-carboxylic acid?
2-(5-oxo-4-propan-2-yl-1,4-dihydroimidazol-2-yl)pyridine-3-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-4-propan-2-yl-1,4-dihydroimidazol-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 151401980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).