methyl 6-acetyloxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate

C16H15NO7 — CID 10958546

IUPACmethyl 6-acetyloxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate
SMILESCOC(=O)C1=C(OC)C(=O)C(OC(C)=O)(c2ccccc2)NC1=O
InChIInChI=1S/C16H15NO7/c1-9(18)24-16(10-7-5-4-6-8-10)13(19)12(22-2)11(14(20)17-16)15(21)23-3/h4-8H,1-3H3,(H,17,20)
InChIKeyGJDZIOGUALVGEC-UHFFFAOYSA-N
MW333.30 g/mol
LogP0.17
Rot. Bonds4

About methyl 6-acetyloxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate

methyl 6-acetyloxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate (PubChem CID 10958546) has the molecular formula C16H15NO7 and a molecular weight of 333.30 g/mol. Its IUPAC name is methyl 6-acetyloxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-acetyloxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate
PubChem CID10958546
Molecular FormulaC16H15NO7
Molecular Weight333.30 g/mol
Exact Mass333.08
IUPAC Namemethyl 6-acetyloxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate
SMILESCOC(=O)C1=C(OC)C(=O)C(OC(C)=O)(c2ccccc2)NC1=O
InChIInChI=1S/C16H15NO7/c1-9(18)24-16(10-7-5-4-6-8-10)13(19)12(22-2)11(14(20)17-16)15(21)23-3/h4-8H,1-3H3,(H,17,20)
InChIKeyGJDZIOGUALVGEC-UHFFFAOYSA-N
XLogP0.17
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze methyl 6-acetyloxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 3-[(1-hydroxy-2-oxo-1,2-diphenylethyl)amino]-3-oxopropanoate
CID 69587878
(1-Acetamido-2-oxo-1-phenylethyl) benzoate
CID 88635784
[5-Acetamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate
CID 140681885
[5-(4-Chlorophenyl)-5-(ethoxycarbonylamino)-2-methyl-4-oxofuran-3-yl] acetate
CID 140681888
methyl 8-methoxy-4-methyl-6,9-dioxo-9a-phenyl-4H-pyrido[2,1-b][1,3]oxazine-7-carboxylate
CID 10871630
6-hydroxy-4-methoxy-6-phenyl-1H-pyridine-2,5-dione
CID 10966399
dimethyl 2-(4-methoxy-5-methoxycarbonyl-3,6-dioxo-2-phenyl-1H-pyridin-2-yl)propanedioate
CID 10982356
methyl 6-hydroxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate
CID 11000794
(4-methoxy-3,6-dioxo-2-phenyl-1H-pyridin-2-yl) acetate
CID 11044004
methyl 4-hexyl-2-methoxy-5-oxo-2-phenyl-1H-pyrrole-3-carboxylate
CID 101948440

Frequently Asked Questions

What is the IUPAC name of methyl 6-acetyloxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 6-acetyloxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate (CID 10958546) is methyl 6-acetyloxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-acetyloxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 6-acetyloxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate is COC(=O)C1=C(OC)C(=O)C(OC(C)=O)(c2ccccc2)NC1=O.
What is the InChIKey of methyl 6-acetyloxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate?
The InChIKey is GJDZIOGUALVGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO7/c1-9(18)24-16(10-7-5-4-6-8-10)13(19)12(22-2)11(14(20)17-16)15(21)23-3/h4-8H,1-3H3,(H,17,20).
What are the key properties of methyl 6-acetyloxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate?
methyl 6-acetyloxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate has a molecular weight of 333.30 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-acetyloxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate is sourced from PubChem (CID 10958546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).