5-acetyl-2,4-dihydroxy-6-oxo-N-phenylpyran-3-carboxamide

C14H11NO6 — CID 136610051

IUPAC5-acetyl-2,4-dihydroxy-6-oxo-N-phenylpyran-3-carboxamide
SMILESCC(=O)c1c(O)c(C(=O)Nc2ccccc2)c(O)oc1=O
InChIInChI=1S/C14H11NO6/c1-7(16)9-11(17)10(14(20)21-13(9)19)12(18)15-8-5-3-2-4-6-8/h2-6,17,20H,1H3,(H,15,18)
InChIKeyMWUKENWGVAINQN-UHFFFAOYSA-N
MW289.24 g/mol
LogP1.51
Rot. Bonds3

About 5-acetyl-2,4-dihydroxy-6-oxo-N-phenylpyran-3-carboxamide

5-acetyl-2,4-dihydroxy-6-oxo-N-phenylpyran-3-carboxamide (PubChem CID 136610051) has the molecular formula C14H11NO6 and a molecular weight of 289.24 g/mol. Its IUPAC name is 5-acetyl-2,4-dihydroxy-6-oxo-N-phenylpyran-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-2,4-dihydroxy-6-oxo-N-phenylpyran-3-carboxamide
PubChem CID136610051
Molecular FormulaC14H11NO6
Molecular Weight289.24 g/mol
Exact Mass289.06
IUPAC Name5-acetyl-2,4-dihydroxy-6-oxo-N-phenylpyran-3-carboxamide
SMILESCC(=O)c1c(O)c(C(=O)Nc2ccccc2)c(O)oc1=O
InChIInChI=1S/C14H11NO6/c1-7(16)9-11(17)10(14(20)21-13(9)19)12(18)15-8-5-3-2-4-6-8/h2-6,17,20H,1H3,(H,15,18)
InChIKeyMWUKENWGVAINQN-UHFFFAOYSA-N
XLogP1.51
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-acetyl-2,4-dihydroxy-N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide
CID 136610060
5-acetyl-2,4-dihydroxy-6-oxo-N-[4-(propanoylamino)phenyl]pyran-3-carboxamide
CID 136610021
5-acetyl-N-[3-(ethylcarbamoyl)phenyl]-2,4-dihydroxy-6-oxopyran-3-carboxamide
CID 136609998
[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
2,3,4,5,6-pentamethyl-N-phenylbenzamide
CID 60629319
8-fluoro-4-hydroxy-2-oxo-N-phenylchromene-3-carboxamide
CID 54733251
4-hydroxy-5-methyl-2-oxo-N-phenylpyrano[3,2-b]indole-3-carboxamide
CID 54696259
2-methyl-5-oxo-N,3-diphenyl-1,2-oxazole-4-carboxamide
CID 110681206
2,5-bis(4-methylphenyl)-3-N,4-N-diphenylfuran-3,4-dicarboxamide
CID 10576901
N-(4-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
CID 54698718
5-acetyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 144544324

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2,4-dihydroxy-6-oxo-N-phenylpyran-3-carboxamide?
The IUPAC name of 5-acetyl-2,4-dihydroxy-6-oxo-N-phenylpyran-3-carboxamide (CID 136610051) is 5-acetyl-2,4-dihydroxy-6-oxo-N-phenylpyran-3-carboxamide.
What is the SMILES notation for 5-acetyl-2,4-dihydroxy-6-oxo-N-phenylpyran-3-carboxamide?
The canonical SMILES for 5-acetyl-2,4-dihydroxy-6-oxo-N-phenylpyran-3-carboxamide is CC(=O)c1c(O)c(C(=O)Nc2ccccc2)c(O)oc1=O.
What is the InChIKey of 5-acetyl-2,4-dihydroxy-6-oxo-N-phenylpyran-3-carboxamide?
The InChIKey is MWUKENWGVAINQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO6/c1-7(16)9-11(17)10(14(20)21-13(9)19)12(18)15-8-5-3-2-4-6-8/h2-6,17,20H,1H3,(H,15,18).
What are the key properties of 5-acetyl-2,4-dihydroxy-6-oxo-N-phenylpyran-3-carboxamide?
5-acetyl-2,4-dihydroxy-6-oxo-N-phenylpyran-3-carboxamide has a molecular weight of 289.24 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2,4-dihydroxy-6-oxo-N-phenylpyran-3-carboxamide is sourced from PubChem (CID 136610051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).