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

C15H23N4O3+ — CID 139596823

IUPACazanium 5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
SMILESCCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1.[NH4+]
InChIInChI=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
InChIKeyQRSHQJLLXXEYPS-UHFFFAOYSA-O
MW307.37 g/mol
LogP2.01
Rot. Bonds4

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 Nameazanium 5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
PubChem CID139596823
Molecular FormulaC15H23N4O3+
Molecular Weight307.37 g/mol
Exact Mass307.18
IUPAC Nameazanium 5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
SMILESCCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1.[NH4+]
InChIInChI=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
InChIKeyQRSHQJLLXXEYPS-UHFFFAOYSA-O
XLogP2.01
TPSA128.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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).