4-hydroxy-6-methyl-2-oxo-N-phenylpyran-3-carboxamide

C13H11NO4 — CID 54709973

IUPAC4-hydroxy-6-methyl-2-oxo-N-phenylpyran-3-carboxamide
SMILESCc1cc(O)c(C(=O)Nc2ccccc2)c(=O)o1
InChIInChI=1S/C13H11NO4/c1-8-7-10(15)11(13(17)18-8)12(16)14-9-5-3-2-4-6-9/h2-7,15H,1H3,(H,14,16)
InChIKeyREUANQLVVALCCT-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.91
Rot. Bonds2

About 4-hydroxy-6-methyl-2-oxo-N-phenylpyran-3-carboxamide

4-hydroxy-6-methyl-2-oxo-N-phenylpyran-3-carboxamide (PubChem CID 54709973) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-2-oxo-N-phenylpyran-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-6-methyl-2-oxo-N-phenylpyran-3-carboxamide
PubChem CID54709973
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name4-hydroxy-6-methyl-2-oxo-N-phenylpyran-3-carboxamide
SMILESCc1cc(O)c(C(=O)Nc2ccccc2)c(=O)o1
InChIInChI=1S/C13H11NO4/c1-8-7-10(15)11(13(17)18-8)12(16)14-9-5-3-2-4-6-9/h2-7,15H,1H3,(H,14,16)
InChIKeyREUANQLVVALCCT-UHFFFAOYSA-N
XLogP1.91
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methyl-2-oxo-N-phenylpyran-3-carboxamide?
The IUPAC name of 4-hydroxy-6-methyl-2-oxo-N-phenylpyran-3-carboxamide (CID 54709973) is 4-hydroxy-6-methyl-2-oxo-N-phenylpyran-3-carboxamide.
What is the SMILES notation for 4-hydroxy-6-methyl-2-oxo-N-phenylpyran-3-carboxamide?
The canonical SMILES for 4-hydroxy-6-methyl-2-oxo-N-phenylpyran-3-carboxamide is Cc1cc(O)c(C(=O)Nc2ccccc2)c(=O)o1.
What is the InChIKey of 4-hydroxy-6-methyl-2-oxo-N-phenylpyran-3-carboxamide?
The InChIKey is REUANQLVVALCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-8-7-10(15)11(13(17)18-8)12(16)14-9-5-3-2-4-6-9/h2-7,15H,1H3,(H,14,16).
What are the key properties of 4-hydroxy-6-methyl-2-oxo-N-phenylpyran-3-carboxamide?
4-hydroxy-6-methyl-2-oxo-N-phenylpyran-3-carboxamide has a molecular weight of 245.23 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-2-oxo-N-phenylpyran-3-carboxamide is sourced from PubChem (CID 54709973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).