5-acetyl-2,4-dihydroxy-6-oxo-N-[4-(propanoylamino)phenyl]pyran-3-carboxamide

C17H16N2O7 — CID 136610021

IUPAC5-acetyl-2,4-dihydroxy-6-oxo-N-[4-(propanoylamino)phenyl]pyran-3-carboxamide
SMILESCCC(=O)Nc1ccc(NC(=O)c2c(O)oc(=O)c(C(C)=O)c2O)cc1
InChIInChI=1S/C17H16N2O7/c1-3-11(21)18-9-4-6-10(7-5-9)19-15(23)13-14(22)12(8(2)20)16(24)26-17(13)25/h4-7,22,25H,3H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyUJFZRQAULPNHLT-UHFFFAOYSA-N
MW360.32 g/mol
LogP1.85
Rot. Bonds5

About 5-acetyl-2,4-dihydroxy-6-oxo-N-[4-(propanoylamino)phenyl]pyran-3-carboxamide

5-acetyl-2,4-dihydroxy-6-oxo-N-[4-(propanoylamino)phenyl]pyran-3-carboxamide (PubChem CID 136610021) has the molecular formula C17H16N2O7 and a molecular weight of 360.32 g/mol. Its IUPAC name is 5-acetyl-2,4-dihydroxy-6-oxo-N-[4-(propanoylamino)phenyl]pyran-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-2,4-dihydroxy-6-oxo-N-[4-(propanoylamino)phenyl]pyran-3-carboxamide
PubChem CID136610021
Molecular FormulaC17H16N2O7
Molecular Weight360.32 g/mol
Exact Mass360.10
IUPAC Name5-acetyl-2,4-dihydroxy-6-oxo-N-[4-(propanoylamino)phenyl]pyran-3-carboxamide
SMILESCCC(=O)Nc1ccc(NC(=O)c2c(O)oc(=O)c(C(C)=O)c2O)cc1
InChIInChI=1S/C17H16N2O7/c1-3-11(21)18-9-4-6-10(7-5-9)19-15(23)13-14(22)12(8(2)20)16(24)26-17(13)25/h4-7,22,25H,3H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyUJFZRQAULPNHLT-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

5-acetyl-2,4-dihydroxy-N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide
CID 136610060
[4-[(5-acetyl-2,4-dihydroxy-6-oxopyran-3-carbonyl)amino]phenyl] propanoate
CID 136610070
5-acetyl-2,4-dihydroxy-6-oxo-N-phenylpyran-3-carboxamide
CID 136610051
5-acetyl-N-[3-(ethylcarbamoyl)phenyl]-2,4-dihydroxy-6-oxopyran-3-carboxamide
CID 136609998
4,6-dihydroxy-3,5-di(propanoyl)pyran-2-one
CID 135721853
N-[4-[(2-aminoacetyl)amino]phenyl]propanamide
CID 43708679
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 661234
N-(4-acetamidophenyl)-3-(propanoylamino)benzamide
CID 17309669
N-[4-(propan-2-ylamino)phenyl]propanamide
CID 43720685
5-hydroxy-N-[4-(propanoylamino)phenyl]pyridine-3-carboxamide
CID 63859925
methyl 3-[[4-(propanoylamino)phenyl]carbamoyl]benzoate
CID 17204969
5-chloro-N-[4-(propanoylamino)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624941

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2,4-dihydroxy-6-oxo-N-[4-(propanoylamino)phenyl]pyran-3-carboxamide?
The IUPAC name of 5-acetyl-2,4-dihydroxy-6-oxo-N-[4-(propanoylamino)phenyl]pyran-3-carboxamide (CID 136610021) is 5-acetyl-2,4-dihydroxy-6-oxo-N-[4-(propanoylamino)phenyl]pyran-3-carboxamide.
What is the SMILES notation for 5-acetyl-2,4-dihydroxy-6-oxo-N-[4-(propanoylamino)phenyl]pyran-3-carboxamide?
The canonical SMILES for 5-acetyl-2,4-dihydroxy-6-oxo-N-[4-(propanoylamino)phenyl]pyran-3-carboxamide is CCC(=O)Nc1ccc(NC(=O)c2c(O)oc(=O)c(C(C)=O)c2O)cc1.
What is the InChIKey of 5-acetyl-2,4-dihydroxy-6-oxo-N-[4-(propanoylamino)phenyl]pyran-3-carboxamide?
The InChIKey is UJFZRQAULPNHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O7/c1-3-11(21)18-9-4-6-10(7-5-9)19-15(23)13-14(22)12(8(2)20)16(24)26-17(13)25/h4-7,22,25H,3H2,1-2H3,(H,18,21)(H,19,23).
What are the key properties of 5-acetyl-2,4-dihydroxy-6-oxo-N-[4-(propanoylamino)phenyl]pyran-3-carboxamide?
5-acetyl-2,4-dihydroxy-6-oxo-N-[4-(propanoylamino)phenyl]pyran-3-carboxamide has a molecular weight of 360.32 g/mol, XLogP of 1.85, 5 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-6-oxo-N-[4-(propanoylamino)phenyl]pyran-3-carboxamide is sourced from PubChem (CID 136610021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).