N-ethyl-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide

C14H14N2O4 — CID 76328970

IUPACN-ethyl-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide
SMILESCCNC(=O)C1=C(C=C(OC1=O)C2=CC=CC=C2)NO
InChIInChI=1S/C14H14N2O4/c1-2-15-13(17)12-10(16-19)8-11(20-14(12)18)9-6-4-3-5-7-9/h3-8,16,19H,2H2,1H3,(H,15,17)
InChIKeyYQOFDFRHVKUDNR-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.60
Rot. Bonds4

About N-ethyl-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide

N-ethyl-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide (PubChem CID 76328970) has the molecular formula C14H14N2O4 and a molecular weight of 274.27 g/mol. Its IUPAC name is N-ethyl-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide
PubChem CID76328970
Molecular FormulaC14H14N2O4
Molecular Weight274.27 g/mol
Exact Mass274.10
IUPAC NameN-ethyl-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide
SMILESCCNC(=O)C1=C(C=C(OC1=O)C2=CC=CC=C2)NO
InChIInChI=1S/C14H14N2O4/c1-2-15-13(17)12-10(16-19)8-11(20-14(12)18)9-6-4-3-5-7-9/h3-8,16,19H,2H2,1H3,(H,15,17)
InChIKeyYQOFDFRHVKUDNR-UHFFFAOYSA-N
XLogP2.60
TPSA87.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity462

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(hydroxyamino)-N-methyl-2-oxo-6-phenylpyran-3-carboxamide
CID 76310891
6-(4-chlorophenyl)-4-(hydroxyamino)-N-methyl-2-oxopyran-3-carboxamide
CID 76318101
N-benzyl-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide
CID 76321792
4-(hydroxyamino)-2-oxo-6-phenyl-N-propylpyran-3-carboxamide
CID 76321793
4-(hydroxyamino)-N-(3-hydroxypropyl)-2-oxo-6-phenylpyran-3-carboxamide
CID 76321794
N-benzyl-4-(hydroxyamino)-6-(4-methylphenyl)-2-oxopyran-3-carboxamide
CID 76336249
4-(hydroxyamino)-6-(4-methoxyphenyl)-N-methyl-2-oxopyran-3-carboxamide
CID 76336250
4-(hydroxyamino)-2-oxo-6-phenyl-N-propan-2-ylpyran-3-carboxamide
CID 76336251
4-(hydroxyamino)-N-(2-hydroxyethyl)-2-oxo-6-phenylpyran-3-carboxamide
CID 76310892
6-(4-fluorophenyl)-4-(hydroxyamino)-N-methyl-2-oxopyran-3-carboxamide
CID 76314521
N-benzyl-6-(4-fluorophenyl)-4-(hydroxyamino)-2-oxopyran-3-carboxamide
CID 76318100
Methyl 2-[[6-(4-fluorophenyl)-4-(hydroxyamino)-2-oxopyran-3-carbonyl]amino]acetate
CID 76318102

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide?
The IUPAC name of N-ethyl-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide (CID 76328970) is N-ethyl-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide.
What is the SMILES notation for N-ethyl-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide?
The canonical SMILES for N-ethyl-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide is CCNC(=O)C1=C(C=C(OC1=O)C2=CC=CC=C2)NO.
What is the InChIKey of N-ethyl-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide?
The InChIKey is YQOFDFRHVKUDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-2-15-13(17)12-10(16-19)8-11(20-14(12)18)9-6-4-3-5-7-9/h3-8,16,19H,2H2,1H3,(H,15,17).
What are the key properties of N-ethyl-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide?
N-ethyl-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide has a molecular weight of 274.27 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide is sourced from PubChem (CID 76328970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).