Azanium 5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid

C₁₅H₂₃N₄O₃+ — CID 139596823

About Azanium 5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid

Azanium 5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid (PubChem CID 139596823) has the molecular formula C₁₅H₂₃N₄O₃+ and a molecular weight of 307.37 g/mol. Its IUPAC name is azanium 5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: Azanium 5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
• PubChem CID: 139596823
• Molecular Formula: C₁₅H₂₃N₄O₃+
• Molecular Weight: 307.37 g/mol
• Exact Mass: 307.18
• IUPAC Name: azanium 5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
• SMILES: CCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1.[NH4+]
• InChI: InChI=1S/C15H19N3O3.H3N/c1-5-9-6-10(13(19)20)11(16-7-9)12-17-14(21)15(4,18-12)8(2)3;/h6-8H,5H2,1-4H3,(H,19,20)(H,17,18,21);1H3/p+1
• InChIKey: QRSHQJLLXXEYPS-UHFFFAOYSA-O
• XLogP: 2.01
• TPSA: 128.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.37
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Azanium 5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?

The IUPAC name of Azanium 5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid (CID 139596823) is azanium 5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid.

What is the SMILES notation for Azanium 5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?

The canonical SMILES for Azanium 5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid is CCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1.[NH4+].

What is the InChIKey of Azanium 5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?

The InChIKey is QRSHQJLLXXEYPS-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H19N3O3.H3N/c1-5-9-6-10(13(19)20)11(16-7-9)12-17-14(21)15(4,18-12)8(2)3;/h6-8H,5H2,1-4H3,(H,19,20)(H,17,18,21);1H3/p+1.

What are the key properties of Azanium 5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?

Azanium 5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid has a molecular weight of 307.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Azanium 5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 139596823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139596823 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.