2-(5-methyl-4-oxo-5-propan-2-ylimidazol-1-yl)pyridine-3-carboxylic acid

C13H15N3O3 — CID 154248116

IUPAC2-(5-methyl-4-oxo-5-propan-2-ylimidazol-1-yl)pyridine-3-carboxylic acid
SMILESCC(C)C1(C)C(=O)N=CN1c1ncccc1C(=O)O
InChIInChI=1S/C13H15N3O3/c1-8(2)13(3)12(19)15-7-16(13)10-9(11(17)18)5-4-6-14-10/h4-8H,1-3H3,(H,17,18)
InChIKeySDQJTMNCLRDHAM-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.57
Rot. Bonds3

About 2-(5-methyl-4-oxo-5-propan-2-ylimidazol-1-yl)pyridine-3-carboxylic acid

2-(5-methyl-4-oxo-5-propan-2-ylimidazol-1-yl)pyridine-3-carboxylic acid (PubChem CID 154248116) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(5-methyl-4-oxo-5-propan-2-ylimidazol-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(5-methyl-4-oxo-5-propan-2-ylimidazol-1-yl)pyridine-3-carboxylic acid
PubChem CID154248116
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-(5-methyl-4-oxo-5-propan-2-ylimidazol-1-yl)pyridine-3-carboxylic acid
SMILESCC(C)C1(C)C(=O)N=CN1c1ncccc1C(=O)O
InChIInChI=1S/C13H15N3O3/c1-8(2)13(3)12(19)15-7-16(13)10-9(11(17)18)5-4-6-14-10/h4-8H,1-3H3,(H,17,18)
InChIKeySDQJTMNCLRDHAM-UHFFFAOYSA-N
XLogP1.57
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-methyl-4-oxo-5-propan-2-ylimidazol-1-yl)pyridine-3-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

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-4-oxo-5-propan-2-ylimidazol-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(5-methyl-4-oxo-5-propan-2-ylimidazol-1-yl)pyridine-3-carboxylic acid (CID 154248116) is 2-(5-methyl-4-oxo-5-propan-2-ylimidazol-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(5-methyl-4-oxo-5-propan-2-ylimidazol-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(5-methyl-4-oxo-5-propan-2-ylimidazol-1-yl)pyridine-3-carboxylic acid is CC(C)C1(C)C(=O)N=CN1c1ncccc1C(=O)O.
What is the InChIKey of 2-(5-methyl-4-oxo-5-propan-2-ylimidazol-1-yl)pyridine-3-carboxylic acid?
The InChIKey is SDQJTMNCLRDHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8(2)13(3)12(19)15-7-16(13)10-9(11(17)18)5-4-6-14-10/h4-8H,1-3H3,(H,17,18).
What are the key properties of 2-(5-methyl-4-oxo-5-propan-2-ylimidazol-1-yl)pyridine-3-carboxylic acid?
2-(5-methyl-4-oxo-5-propan-2-ylimidazol-1-yl)pyridine-3-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-4-oxo-5-propan-2-ylimidazol-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 154248116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).