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

C16H21N3O5 — CID 19010328

IUPAC6-methoxy-5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
SMILESCOCc1cc(C(=O)O)c(C2=NC(C)(C(C)C)C(=O)N2)nc1OC
InChIInChI=1S/C16H21N3O5/c1-8(2)16(3)15(22)18-12(19-16)11-10(14(20)21)6-9(7-23-4)13(17-11)24-5/h6,8H,7H2,1-5H3,(H,20,21)(H,18,19,22)
InChIKeyLKXKWHPFFRKOGQ-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.23
Rot. Bonds6

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

6-methoxy-5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid (PubChem CID 19010328) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is 6-methoxy-5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
PubChem CID19010328
Molecular FormulaC16H21N3O5
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC Name6-methoxy-5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
SMILESCOCc1cc(C(=O)O)c(C2=NC(C)(C(C)C)C(=O)N2)nc1OC
InChIInChI=1S/C16H21N3O5/c1-8(2)16(3)15(22)18-12(19-16)11-10(14(20)21)6-9(7-23-4)13(17-11)24-5/h6,8H,7H2,1-5H3,(H,20,21)(H,18,19,22)
InChIKeyLKXKWHPFFRKOGQ-UHFFFAOYSA-N
XLogP1.23
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-methoxy-5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid (CID 19010328) is 6-methoxy-5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methoxy-5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methoxy-5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid is COCc1cc(C(=O)O)c(C2=NC(C)(C(C)C)C(=O)N2)nc1OC.
What is the InChIKey of 6-methoxy-5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?
The InChIKey is LKXKWHPFFRKOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5/c1-8(2)16(3)15(22)18-12(19-16)11-10(14(20)21)6-9(7-23-4)13(17-11)24-5/h6,8H,7H2,1-5H3,(H,20,21)(H,18,19,22).
What are the key properties of 6-methoxy-5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid?
6-methoxy-5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid has a molecular weight of 335.36 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 19010328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).