methyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-acetyloxypyridine-3-carboxylate

C18H21N3O6 — CID 76851301

IUPACmethyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-acetyloxypyridine-3-carboxylate
SMILESCOC(=O)c1cc(OC(C)=O)cnc1C1=NC(C)(C(C)C)C(=O)N1C(C)=O
InChIInChI=1S/C18H21N3O6/c1-9(2)18(5)17(25)21(10(3)22)15(20-18)14-13(16(24)26-6)7-12(8-19-14)27-11(4)23/h7-9H,1-6H3
InChIKeyIVKGOVDKXVHIKK-UHFFFAOYSA-N
MW375.38 g/mol
LogP1.34
Rot. Bonds4

About methyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-acetyloxypyridine-3-carboxylate

methyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-acetyloxypyridine-3-carboxylate (PubChem CID 76851301) has the molecular formula C18H21N3O6 and a molecular weight of 375.38 g/mol. Its IUPAC name is methyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-acetyloxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-acetyloxypyridine-3-carboxylate
PubChem CID76851301
Molecular FormulaC18H21N3O6
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Namemethyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-acetyloxypyridine-3-carboxylate
SMILESCOC(=O)c1cc(OC(C)=O)cnc1C1=NC(C)(C(C)C)C(=O)N1C(C)=O
InChIInChI=1S/C18H21N3O6/c1-9(2)18(5)17(25)21(10(3)22)15(20-18)14-13(16(24)26-6)7-12(8-19-14)27-11(4)23/h7-9H,1-6H3
InChIKeyIVKGOVDKXVHIKK-UHFFFAOYSA-N
XLogP1.34
TPSA115.23 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-acetyloxypyridine-3-carboxylate with MolForge

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Related Compounds

methyl 2-(1-chloro-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-methylpyridine-3-carboxylate
CID 57038534
methyl 2-(1,4-dimethyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-ethylpyridine-3-carboxylate
CID 102574270
methyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)-1-oxidopyridin-1-ium-3-carboxylate
CID 13246889
methyl 2-(1-hydroxy-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)benzoate
CID 15029352
methyl 5-(4-methyl-6-oxo-1,3-dioxan-2-yl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate
CID 15676670
methyl 2,5-diacetyloxy-3-methylbenzoate
CID 156852348
methyl 4-methyl-2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]benzoate
CID 76956997
methyl 5-bromo-2-propan-2-ylpyridine-3-carboxylate
CID 131443087
methyl 3-acetyloxy-5-propan-2-yloxybenzoate
CID 174646225
methyl 3,5-diacetyloxybenzoate
CID 7474700
azanium 5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
CID 139596823
methyl 2,5-diacetyloxy-3-formylbenzoate
CID 156852315

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-acetyloxypyridine-3-carboxylate?
The IUPAC name of methyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-acetyloxypyridine-3-carboxylate (CID 76851301) is methyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-acetyloxypyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-acetyloxypyridine-3-carboxylate?
The canonical SMILES for methyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-acetyloxypyridine-3-carboxylate is COC(=O)c1cc(OC(C)=O)cnc1C1=NC(C)(C(C)C)C(=O)N1C(C)=O.
What is the InChIKey of methyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-acetyloxypyridine-3-carboxylate?
The InChIKey is IVKGOVDKXVHIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O6/c1-9(2)18(5)17(25)21(10(3)22)15(20-18)14-13(16(24)26-6)7-12(8-19-14)27-11(4)23/h7-9H,1-6H3.
What are the key properties of methyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-acetyloxypyridine-3-carboxylate?
methyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-acetyloxypyridine-3-carboxylate has a molecular weight of 375.38 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-acetyloxypyridine-3-carboxylate is sourced from PubChem (CID 76851301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).