methyl 2-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)pyridine-3-carboxylate

C12H13N3O3 — CID 13246897

IUPACmethyl 2-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1C1=NC(C)(C)C(=O)N1
InChIInChI=1S/C12H13N3O3/c1-12(2)11(17)14-9(15-12)8-7(10(16)18-3)5-4-6-13-8/h4-6H,1-3H3,(H,14,15,17)
InChIKeyNYGQXNZUWMQVFN-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.52
Rot. Bonds2

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

methyl 2-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)pyridine-3-carboxylate (PubChem CID 13246897) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is methyl 2-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)pyridine-3-carboxylate
PubChem CID13246897
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Namemethyl 2-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1C1=NC(C)(C)C(=O)N1
InChIInChI=1S/C12H13N3O3/c1-12(2)11(17)14-9(15-12)8-7(10(16)18-3)5-4-6-13-8/h4-6H,1-3H3,(H,14,15,17)
InChIKeyNYGQXNZUWMQVFN-UHFFFAOYSA-N
XLogP0.52
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]pyridine-3-carboxylate
CID 51674642
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
methyl 2-methylpyridine-3-carboxylate
CID 7015327
2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxamide
CID 13250671
N-(2-chloroethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxamide
CID 13250670
CID 87392386
CID 87392386
methyl 2-(1H-indol-3-yl)pyridine-3-carboxylate
CID 15287367
methyl 2-(2-methoxy-4-pyridinyl)pyridine-3-carboxylate
CID 155342393
methyl 2-(4-chlorophenyl)pyridine-3-carboxylate;propane
CID 170705123
methyl 5-oxo-10H-benzo[b][1,8]naphthyridine-9-carboxylate
CID 10244019
methyl 2-(N,S-dimethylsulfonimidoyl)pyridine-3-carboxylate
CID 125425019
methyl 2-(4-bromo-2-methoxyphenyl)pyridine-3-carboxylate
CID 177204669

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)pyridine-3-carboxylate (CID 13246897) is methyl 2-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)pyridine-3-carboxylate is COC(=O)c1cccnc1C1=NC(C)(C)C(=O)N1.
What is the InChIKey of methyl 2-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)pyridine-3-carboxylate?
The InChIKey is NYGQXNZUWMQVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-12(2)11(17)14-9(15-12)8-7(10(16)18-3)5-4-6-13-8/h4-6H,1-3H3,(H,14,15,17).
What are the key properties of methyl 2-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)pyridine-3-carboxylate?
methyl 2-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)pyridine-3-carboxylate has a molecular weight of 247.25 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)pyridine-3-carboxylate is sourced from PubChem (CID 13246897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).