2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3,5-dicarboxylic acid

C14H15N3O5 — CID 132585357

IUPAC2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3,5-dicarboxylic acid
SMILESCC(C)C1(C)N=C(c2ncc(C(=O)O)cc2C(=O)O)NC1=O
InChIInChI=1S/C14H15N3O5/c1-6(2)14(3)13(22)16-10(17-14)9-8(12(20)21)4-7(5-15-9)11(18)19/h4-6H,1-3H3,(H,18,19)(H,20,21)(H,16,17,22)
InChIKeyZRPVTLGVORAGCY-UHFFFAOYSA-N
MW305.29 g/mol
LogP0.77
Rot. Bonds4

About 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3,5-dicarboxylic acid

2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3,5-dicarboxylic acid (PubChem CID 132585357) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3,5-dicarboxylic acid
PubChem CID132585357
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC Name2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3,5-dicarboxylic acid
SMILESCC(C)C1(C)N=C(c2ncc(C(=O)O)cc2C(=O)O)NC1=O
InChIInChI=1S/C14H15N3O5/c1-6(2)14(3)13(22)16-10(17-14)9-8(12(20)21)4-7(5-15-9)11(18)19/h4-6H,1-3H3,(H,18,19)(H,20,21)(H,16,17,22)
InChIKeyZRPVTLGVORAGCY-UHFFFAOYSA-N
XLogP0.77
TPSA128.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Imazamox
CID 86137
Imazapyr
CID 54738
Imazapic
CID 91770
Imazethapyr
CID 54740
5-Hydroxy-6-(4-isopropyl-4-methyl-5-oxo-imidazolin-2-yl) nicotinic acid
CID 139595302
Imazapyr-isopropylammonium
CID 62286
Imazapic-ammonium
CID 18772439
sodium 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate
CID 23674359
Imazethapyr-ammonium
CID 175888
Imazamox-ammonium
CID 18772481
6-(Methylcarbamoyl)pyridine-3-carboxylic acid
CID 15185418
R-(-)-Imazethapyr
CID 6999124

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3,5-dicarboxylic acid (CID 132585357) is 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3,5-dicarboxylic acid is CC(C)C1(C)N=C(c2ncc(C(=O)O)cc2C(=O)O)NC1=O.
What is the InChIKey of 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3,5-dicarboxylic acid?
The InChIKey is ZRPVTLGVORAGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5/c1-6(2)14(3)13(22)16-10(17-14)9-8(12(20)21)4-7(5-15-9)11(18)19/h4-6H,1-3H3,(H,18,19)(H,20,21)(H,16,17,22).
What are the key properties of 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3,5-dicarboxylic acid?
2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3,5-dicarboxylic acid has a molecular weight of 305.29 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 132585357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).