5-acetyl-2,4-dihydroxy-N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide

C14H11NO7 — CID 136610060

IUPAC5-acetyl-2,4-dihydroxy-N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide
SMILESCC(=O)c1c(O)c(C(=O)Nc2ccc(O)cc2)c(O)oc1=O
InChIInChI=1S/C14H11NO7/c1-6(16)9-11(18)10(14(21)22-13(9)20)12(19)15-7-2-4-8(17)5-3-7/h2-5,17-18,21H,1H3,(H,15,19)
InChIKeyVWRALUHYCVNGRJ-UHFFFAOYSA-N
MW305.24 g/mol
LogP1.21
Rot. Bonds3

About 5-acetyl-2,4-dihydroxy-N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide

5-acetyl-2,4-dihydroxy-N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide (PubChem CID 136610060) has the molecular formula C14H11NO7 and a molecular weight of 305.24 g/mol. Its IUPAC name is 5-acetyl-2,4-dihydroxy-N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-2,4-dihydroxy-N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide
PubChem CID136610060
Molecular FormulaC14H11NO7
Molecular Weight305.24 g/mol
Exact Mass305.05
IUPAC Name5-acetyl-2,4-dihydroxy-N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide
SMILESCC(=O)c1c(O)c(C(=O)Nc2ccc(O)cc2)c(O)oc1=O
InChIInChI=1S/C14H11NO7/c1-6(16)9-11(18)10(14(21)22-13(9)20)12(19)15-7-2-4-8(17)5-3-7/h2-5,17-18,21H,1H3,(H,15,19)
InChIKeyVWRALUHYCVNGRJ-UHFFFAOYSA-N
XLogP1.21
TPSA137.07 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-acetyl-2,4-dihydroxy-6-oxo-N-phenylpyran-3-carboxamide
CID 136610051
5-acetyl-2,4-dihydroxy-6-oxo-N-[4-(propanoylamino)phenyl]pyran-3-carboxamide
CID 136610021
[4-[(5-acetyl-2,4-dihydroxy-6-oxopyran-3-carbonyl)amino]phenyl] propanoate
CID 136610070
3,5-diacetyl-4,6-dihydroxypyran-2-one
CID 135465969
5-acetyl-N-[3-(ethylcarbamoyl)phenyl]-2,4-dihydroxy-6-oxopyran-3-carboxamide
CID 136609998
2-acetyl-N-(4-hydroxyphenyl)benzamide
CID 71011787
N-(4-hydroxyphenyl)acetamide;dihydrate
CID 140999210
N-(4-hydroxyphenyl)acetamide;iron
CID 69304461
N-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 28780641
bis(N-(4-hydroxyphenyl)acetamide);zirconium(2+);dichloride
CID 174353959
lithium;hydride;N-(4-hydroxyphenyl)acetamide;hexahydrate
CID 173295896
N-[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]phenyl]acetamide
CID 137186099

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2,4-dihydroxy-N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide?
The IUPAC name of 5-acetyl-2,4-dihydroxy-N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide (CID 136610060) is 5-acetyl-2,4-dihydroxy-N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide.
What is the SMILES notation for 5-acetyl-2,4-dihydroxy-N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide?
The canonical SMILES for 5-acetyl-2,4-dihydroxy-N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide is CC(=O)c1c(O)c(C(=O)Nc2ccc(O)cc2)c(O)oc1=O.
What is the InChIKey of 5-acetyl-2,4-dihydroxy-N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide?
The InChIKey is VWRALUHYCVNGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO7/c1-6(16)9-11(18)10(14(21)22-13(9)20)12(19)15-7-2-4-8(17)5-3-7/h2-5,17-18,21H,1H3,(H,15,19).
What are the key properties of 5-acetyl-2,4-dihydroxy-N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide?
5-acetyl-2,4-dihydroxy-N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide has a molecular weight of 305.24 g/mol, XLogP of 1.21, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2,4-dihydroxy-N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide is sourced from PubChem (CID 136610060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).