N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide

C12H9NO4 — CID 28739534

IUPACN-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide
SMILESO=C(Nc1ccc(O)cc1)c1ccc(=O)oc1
InChIInChI=1S/C12H9NO4/c14-10-4-2-9(3-5-10)13-12(16)8-1-6-11(15)17-7-8/h1-7,14H,(H,13,16)
InChIKeySLUDNVIBOBIQTF-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.60
Rot. Bonds2

About N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide

N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide (PubChem CID 28739534) has the molecular formula C12H9NO4 and a molecular weight of 231.21 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide
PubChem CID28739534
Molecular FormulaC12H9NO4
Molecular Weight231.21 g/mol
Exact Mass231.05
IUPAC NameN-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide
SMILESO=C(Nc1ccc(O)cc1)c1ccc(=O)oc1
InChIInChI=1S/C12H9NO4/c14-10-4-2-9(3-5-10)13-12(16)8-1-6-11(15)17-7-8/h1-7,14H,(H,13,16)
InChIKeySLUDNVIBOBIQTF-UHFFFAOYSA-N
XLogP1.60
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

6-oxo-N-(4-pyrrolidin-1-ylphenyl)pyran-3-carboxamide
CID 110697549
N-(6-amino-3-pyridinyl)-6-oxopyran-3-carboxamide
CID 62899372
N-(3-methylphenyl)-6-oxopyran-3-carboxamide
CID 110697514
4-hydroxy-N-[4-(methylamino)phenyl]benzamide
CID 91493666
3-hydroxy-4-[(6-oxopyran-3-carbonyl)amino]benzoic acid
CID 60827184
6-oxo-N-[3-(sulfamoylamino)phenyl]pyran-3-carboxamide
CID 61130491
6-oxo-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyran-3-carboxamide
CID 121036697
N-tert-butyl-6-oxopyran-3-carboxamide
CID 110697500
methyl 4-[[4-[(4-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 3353390
N-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide
CID 39337548
6-oxo-N-(1H-1,2,4-triazol-5-yl)pyran-3-carboxamide
CID 60722966
3,5-ditert-butyl-4-hydroxy-N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]benzamide
CID 54076657

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide (CID 28739534) is N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide is O=C(Nc1ccc(O)cc1)c1ccc(=O)oc1.
What is the InChIKey of N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide?
The InChIKey is SLUDNVIBOBIQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO4/c14-10-4-2-9(3-5-10)13-12(16)8-1-6-11(15)17-7-8/h1-7,14H,(H,13,16).
What are the key properties of N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide?
N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide has a molecular weight of 231.21 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide is sourced from PubChem (CID 28739534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).