methyl 2-(1,4-dimethyl-5-oxo-4-propan-2-ylimidazol-2-yl)pyridine-3-carboxylate

C15H19N3O3 — CID 618985

IUPACmethyl 2-(1,4-dimethyl-5-oxo-4-propan-2-ylimidazol-2-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1C1=NC(C)(C(C)C)C(=O)N1C
InChIInChI=1S/C15H19N3O3/c1-9(2)15(3)14(20)18(4)12(17-15)11-10(13(19)21-5)7-6-8-16-11/h6-9H,1-5H3
InChIKeyYRLCOUPYABGEEJ-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.50
Rot. Bonds3

About methyl 2-(1,4-dimethyl-5-oxo-4-propan-2-ylimidazol-2-yl)pyridine-3-carboxylate

methyl 2-(1,4-dimethyl-5-oxo-4-propan-2-ylimidazol-2-yl)pyridine-3-carboxylate (PubChem CID 618985) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is methyl 2-(1,4-dimethyl-5-oxo-4-propan-2-ylimidazol-2-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1,4-dimethyl-5-oxo-4-propan-2-ylimidazol-2-yl)pyridine-3-carboxylate
PubChem CID618985
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Namemethyl 2-(1,4-dimethyl-5-oxo-4-propan-2-ylimidazol-2-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1C1=NC(C)(C(C)C)C(=O)N1C
InChIInChI=1S/C15H19N3O3/c1-9(2)15(3)14(20)18(4)12(17-15)11-10(13(19)21-5)7-6-8-16-11/h6-9H,1-5H3
InChIKeyYRLCOUPYABGEEJ-UHFFFAOYSA-N
XLogP1.50
TPSA71.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,4-dimethyl-5-oxo-4-propan-2-ylimidazol-2-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(1,4-dimethyl-5-oxo-4-propan-2-ylimidazol-2-yl)pyridine-3-carboxylate (CID 618985) is methyl 2-(1,4-dimethyl-5-oxo-4-propan-2-ylimidazol-2-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(1,4-dimethyl-5-oxo-4-propan-2-ylimidazol-2-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(1,4-dimethyl-5-oxo-4-propan-2-ylimidazol-2-yl)pyridine-3-carboxylate is COC(=O)c1cccnc1C1=NC(C)(C(C)C)C(=O)N1C.
What is the InChIKey of methyl 2-(1,4-dimethyl-5-oxo-4-propan-2-ylimidazol-2-yl)pyridine-3-carboxylate?
The InChIKey is YRLCOUPYABGEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9(2)15(3)14(20)18(4)12(17-15)11-10(13(19)21-5)7-6-8-16-11/h6-9H,1-5H3.
What are the key properties of methyl 2-(1,4-dimethyl-5-oxo-4-propan-2-ylimidazol-2-yl)pyridine-3-carboxylate?
methyl 2-(1,4-dimethyl-5-oxo-4-propan-2-ylimidazol-2-yl)pyridine-3-carboxylate has a molecular weight of 289.34 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,4-dimethyl-5-oxo-4-propan-2-ylimidazol-2-yl)pyridine-3-carboxylate is sourced from PubChem (CID 618985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).