5-acetyl-N-[3-(ethylcarbamoyl)phenyl]-2,4-dihydroxy-6-oxopyran-3-carboxamide

C17H16N2O7 — CID 136609998

IUPAC5-acetyl-N-[3-(ethylcarbamoyl)phenyl]-2,4-dihydroxy-6-oxopyran-3-carboxamide
SMILESCCNC(=O)c1cccc(NC(=O)c2c(O)oc(=O)c(C(C)=O)c2O)c1
InChIInChI=1S/C17H16N2O7/c1-3-18-14(22)9-5-4-6-10(7-9)19-15(23)12-13(21)11(8(2)20)16(24)26-17(12)25/h4-7,21,25H,3H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyCDLMAXJQQPXXJP-UHFFFAOYSA-N
MW360.32 g/mol
LogP1.26
Rot. Bonds5

About 5-acetyl-N-[3-(ethylcarbamoyl)phenyl]-2,4-dihydroxy-6-oxopyran-3-carboxamide

5-acetyl-N-[3-(ethylcarbamoyl)phenyl]-2,4-dihydroxy-6-oxopyran-3-carboxamide (PubChem CID 136609998) has the molecular formula C17H16N2O7 and a molecular weight of 360.32 g/mol. Its IUPAC name is 5-acetyl-N-[3-(ethylcarbamoyl)phenyl]-2,4-dihydroxy-6-oxopyran-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[3-(ethylcarbamoyl)phenyl]-2,4-dihydroxy-6-oxopyran-3-carboxamide
PubChem CID136609998
Molecular FormulaC17H16N2O7
Molecular Weight360.32 g/mol
Exact Mass360.10
IUPAC Name5-acetyl-N-[3-(ethylcarbamoyl)phenyl]-2,4-dihydroxy-6-oxopyran-3-carboxamide
SMILESCCNC(=O)c1cccc(NC(=O)c2c(O)oc(=O)c(C(C)=O)c2O)c1
InChIInChI=1S/C17H16N2O7/c1-3-18-14(22)9-5-4-6-10(7-9)19-15(23)12-13(21)11(8(2)20)16(24)26-17(12)25/h4-7,21,25H,3H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyCDLMAXJQQPXXJP-UHFFFAOYSA-N
XLogP1.26
TPSA145.94 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-(5-acetyl-4,6-dihydroxy-2-oxopyran-3-yl)ethylideneamino]-N-ethylbenzamide
CID 136502482
5-acetyl-2,4-dihydroxy-6-oxo-N-phenylpyran-3-carboxamide
CID 136610051
3-acetamido-N-ethylbenzamide
CID 17230670
5-acetyl-2,4-dihydroxy-6-oxo-N-[4-(propanoylamino)phenyl]pyran-3-carboxamide
CID 136610021
5-acetyl-2,4-dihydroxy-N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide
CID 136610060
5-acetyl-2,4-dihydroxy-6-oxo-N-(3,4,5-trihydroxyphenyl)pyran-3-carboxamide
CID 136610018
methyl 4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17230817
N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide
CID 18151214
N-ethyl-3-(2-methylpropylcarbamoylamino)benzamide
CID 47200674
2-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17230631
N-[3-(ethylcarbamoyl)phenyl]-5-hydroxypyridine-3-carboxamide
CID 63859405
5-chloro-N-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzamide
CID 51333059

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[3-(ethylcarbamoyl)phenyl]-2,4-dihydroxy-6-oxopyran-3-carboxamide?
The IUPAC name of 5-acetyl-N-[3-(ethylcarbamoyl)phenyl]-2,4-dihydroxy-6-oxopyran-3-carboxamide (CID 136609998) is 5-acetyl-N-[3-(ethylcarbamoyl)phenyl]-2,4-dihydroxy-6-oxopyran-3-carboxamide.
What is the SMILES notation for 5-acetyl-N-[3-(ethylcarbamoyl)phenyl]-2,4-dihydroxy-6-oxopyran-3-carboxamide?
The canonical SMILES for 5-acetyl-N-[3-(ethylcarbamoyl)phenyl]-2,4-dihydroxy-6-oxopyran-3-carboxamide is CCNC(=O)c1cccc(NC(=O)c2c(O)oc(=O)c(C(C)=O)c2O)c1.
What is the InChIKey of 5-acetyl-N-[3-(ethylcarbamoyl)phenyl]-2,4-dihydroxy-6-oxopyran-3-carboxamide?
The InChIKey is CDLMAXJQQPXXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O7/c1-3-18-14(22)9-5-4-6-10(7-9)19-15(23)12-13(21)11(8(2)20)16(24)26-17(12)25/h4-7,21,25H,3H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of 5-acetyl-N-[3-(ethylcarbamoyl)phenyl]-2,4-dihydroxy-6-oxopyran-3-carboxamide?
5-acetyl-N-[3-(ethylcarbamoyl)phenyl]-2,4-dihydroxy-6-oxopyran-3-carboxamide has a molecular weight of 360.32 g/mol, XLogP of 1.26, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[3-(ethylcarbamoyl)phenyl]-2,4-dihydroxy-6-oxopyran-3-carboxamide is sourced from PubChem (CID 136609998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).