(4-methoxy-3,6-dioxo-2-phenyl-1H-pyridin-2-yl) acetate

C14H13NO5 — CID 11044004

IUPAC(4-methoxy-3,6-dioxo-2-phenyl-1H-pyridin-2-yl) acetate
SMILESCOC1=CC(=O)NC(OC(C)=O)(c2ccccc2)C1=O
InChIInChI=1S/C14H13NO5/c1-9(16)20-14(10-6-4-3-5-7-10)13(18)11(19-2)8-12(17)15-14/h3-8H,1-2H3,(H,15,17)
InChIKeyKVBVUSTWZVBLMK-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.63
Rot. Bonds3

About (4-methoxy-3,6-dioxo-2-phenyl-1H-pyridin-2-yl) acetate

(4-methoxy-3,6-dioxo-2-phenyl-1H-pyridin-2-yl) acetate (PubChem CID 11044004) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is (4-methoxy-3,6-dioxo-2-phenyl-1H-pyridin-2-yl) acetate.

Molecular Properties

Compound Name(4-methoxy-3,6-dioxo-2-phenyl-1H-pyridin-2-yl) acetate
PubChem CID11044004
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name(4-methoxy-3,6-dioxo-2-phenyl-1H-pyridin-2-yl) acetate
SMILESCOC1=CC(=O)NC(OC(C)=O)(c2ccccc2)C1=O
InChIInChI=1S/C14H13NO5/c1-9(16)20-14(10-6-4-3-5-7-10)13(18)11(19-2)8-12(17)15-14/h3-8H,1-2H3,(H,15,17)
InChIKeyKVBVUSTWZVBLMK-UHFFFAOYSA-N
XLogP0.63
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate
CID 164683675
(1-Acetamido-2-oxo-2-phenylethyl) benzoate
CID 70400235
(1-Acetamido-2-oxo-1-phenylethyl) benzoate
CID 88635784
Bz-DL-Ala-CO2Bzl
CID 131719092
[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
[5-Benzamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate
CID 140681899
(2-Benzamido-5-methyl-4-oxo-5-phenylfuran-3-yl) acetate
CID 140834323
[5-[[(E)-4-bromobut-2-enoyl]amino]-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate
CID 141631183
methyl 6-acetyloxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate
CID 10958546
6-hydroxy-4-methoxy-6-phenyl-1H-pyridine-2,5-dione
CID 10966399
methyl 6-hydroxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate
CID 11000794

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3,6-dioxo-2-phenyl-1H-pyridin-2-yl) acetate?
The IUPAC name of (4-methoxy-3,6-dioxo-2-phenyl-1H-pyridin-2-yl) acetate (CID 11044004) is (4-methoxy-3,6-dioxo-2-phenyl-1H-pyridin-2-yl) acetate.
What is the SMILES notation for (4-methoxy-3,6-dioxo-2-phenyl-1H-pyridin-2-yl) acetate?
The canonical SMILES for (4-methoxy-3,6-dioxo-2-phenyl-1H-pyridin-2-yl) acetate is COC1=CC(=O)NC(OC(C)=O)(c2ccccc2)C1=O.
What is the InChIKey of (4-methoxy-3,6-dioxo-2-phenyl-1H-pyridin-2-yl) acetate?
The InChIKey is KVBVUSTWZVBLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-9(16)20-14(10-6-4-3-5-7-10)13(18)11(19-2)8-12(17)15-14/h3-8H,1-2H3,(H,15,17).
What are the key properties of (4-methoxy-3,6-dioxo-2-phenyl-1H-pyridin-2-yl) acetate?
(4-methoxy-3,6-dioxo-2-phenyl-1H-pyridin-2-yl) acetate has a molecular weight of 275.26 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3,6-dioxo-2-phenyl-1H-pyridin-2-yl) acetate is sourced from PubChem (CID 11044004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).