azane;6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid

C14H20N4O3 — CID 3083549

IUPACazane;6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(C2=NC(C)(C(C)C)C(=O)N2)n1.N
InChIInChI=1S/C14H17N3O3.H3N/c1-7(2)14(4)13(20)16-11(17-14)10-9(12(18)19)6-5-8(3)15-10;/h5-7H,1-4H3,(H,18,19)(H,16,17,20);1H3
InChIKeyHNEMZMCJYKWJIO-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.54
Rot. Bonds3

About azane;6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid

azane;6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid (PubChem CID 3083549) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is azane;6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Nameazane;6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
PubChem CID3083549
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Nameazane;6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(C2=NC(C)(C(C)C)C(=O)N2)n1.N
InChIInChI=1S/C14H17N3O3.H3N/c1-7(2)14(4)13(20)16-11(17-14)10-9(12(18)19)6-5-8(3)15-10;/h5-7H,1-4H3,(H,18,19)(H,16,17,20);1H3
InChIKeyHNEMZMCJYKWJIO-UHFFFAOYSA-N
XLogP1.54
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of azane;6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of azane;6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid (CID 3083549) is azane;6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for azane;6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for azane;6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(C2=NC(C)(C(C)C)C(=O)N2)n1.N.
What is the InChIKey of azane;6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?
The InChIKey is HNEMZMCJYKWJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3.H3N/c1-7(2)14(4)13(20)16-11(17-14)10-9(12(18)19)6-5-8(3)15-10;/h5-7H,1-4H3,(H,18,19)(H,16,17,20);1H3.
What are the key properties of azane;6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?
azane;6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 3083549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).