5-hydroxy-4-oxo-N-(4-phenylphenyl)pyran-2-carboxamide

C18H13NO4 — CID 11522397

IUPAC5-hydroxy-4-oxo-N-(4-phenylphenyl)pyran-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1cc(=O)c(O)co1
InChIInChI=1S/C18H13NO4/c20-15-10-17(23-11-16(15)21)18(22)19-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11,21H,(H,19,22)
InChIKeyGHEWGBDRXGTRTG-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.26
Rot. Bonds3

About 5-hydroxy-4-oxo-N-(4-phenylphenyl)pyran-2-carboxamide

5-hydroxy-4-oxo-N-(4-phenylphenyl)pyran-2-carboxamide (PubChem CID 11522397) has the molecular formula C18H13NO4 and a molecular weight of 307.31 g/mol. Its IUPAC name is 5-hydroxy-4-oxo-N-(4-phenylphenyl)pyran-2-carboxamide.

Molecular Properties

Compound Name5-hydroxy-4-oxo-N-(4-phenylphenyl)pyran-2-carboxamide
PubChem CID11522397
Molecular FormulaC18H13NO4
Molecular Weight307.31 g/mol
Exact Mass307.08
IUPAC Name5-hydroxy-4-oxo-N-(4-phenylphenyl)pyran-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1cc(=O)c(O)co1
InChIInChI=1S/C18H13NO4/c20-15-10-17(23-11-16(15)21)18(22)19-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11,21H,(H,19,22)
InChIKeyGHEWGBDRXGTRTG-UHFFFAOYSA-N
XLogP3.26
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-oxo-N-(4-phenylphenyl)pyran-2-carboxamide?
The IUPAC name of 5-hydroxy-4-oxo-N-(4-phenylphenyl)pyran-2-carboxamide (CID 11522397) is 5-hydroxy-4-oxo-N-(4-phenylphenyl)pyran-2-carboxamide.
What is the SMILES notation for 5-hydroxy-4-oxo-N-(4-phenylphenyl)pyran-2-carboxamide?
The canonical SMILES for 5-hydroxy-4-oxo-N-(4-phenylphenyl)pyran-2-carboxamide is O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(=O)c(O)co1.
What is the InChIKey of 5-hydroxy-4-oxo-N-(4-phenylphenyl)pyran-2-carboxamide?
The InChIKey is GHEWGBDRXGTRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4/c20-15-10-17(23-11-16(15)21)18(22)19-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11,21H,(H,19,22).
What are the key properties of 5-hydroxy-4-oxo-N-(4-phenylphenyl)pyran-2-carboxamide?
5-hydroxy-4-oxo-N-(4-phenylphenyl)pyran-2-carboxamide has a molecular weight of 307.31 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-oxo-N-(4-phenylphenyl)pyran-2-carboxamide is sourced from PubChem (CID 11522397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).