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

C15H19N3O4 — CID 159828826

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

formaldehyde;5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid (PubChem CID 159828826) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is formaldehyde;5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: formaldehyde;5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
• PubChem CID: 159828826
• Molecular Formula: C15H19N3O4
• Molecular Weight: 305.33 g/mol
• Exact Mass: 305.14
• IUPAC Name: formaldehyde;5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
• SMILES: C=O.Cc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1
• InChI: InChI=1S/C14H17N3O3.CH2O/c1-7(2)14(4)13(20)16-11(17-14)10-9(12(18)19)5-8(3)6-15-10;1-2/h5-7H,1-4H3,(H,18,19)(H,16,17,20);1H2
• InChIKey: NNEPVEVUIKMJJD-UHFFFAOYSA-N
• XLogP: 1.19
• TPSA: 108.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	305.33
LogP ≤ 5	1.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of formaldehyde;5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid (CID 159828826) is formaldehyde;5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid.

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

The canonical SMILES for formaldehyde;5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid is C=O.Cc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1.

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

The InChIKey is NNEPVEVUIKMJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3.CH2O/c1-7(2)14(4)13(20)16-11(17-14)10-9(12(18)19)5-8(3)6-15-10;1-2/h5-7H,1-4H3,(H,18,19)(H,16,17,20);1H2.

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

formaldehyde;5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for formaldehyde;5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 159828826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).