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

C19H16N2O4 — CID 76318117

IUPAC4-(hydroxyamino)-N-(4-methylphenyl)-2-oxo-6-phenylpyran-3-carboxamide
SMILESCC1=CC=C(C=C1)NC(=O)C2=C(C=C(OC2=O)C3=CC=CC=C3)NO
InChIInChI=1S/C19H16N2O4/c1-12-7-9-14(10-8-12)20-18(22)17-15(21-24)11-16(25-19(17)23)13-5-3-2-4-6-13/h2-11,21,24H,1H3,(H,20,22)
InChIKeyJUGYOYBTJABFNJ-UHFFFAOYSA-N
MW336.30 g/mol
LogP3.60
Rot. Bonds4

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

4-(hydroxyamino)-N-(4-methylphenyl)-2-oxo-6-phenylpyran-3-carboxamide (PubChem CID 76318117) has the molecular formula C19H16N2O4 and a molecular weight of 336.30 g/mol. Its IUPAC name is 4-(hydroxyamino)-N-(4-methylphenyl)-2-oxo-6-phenylpyran-3-carboxamide.

Molecular Properties

Compound Name4-(hydroxyamino)-N-(4-methylphenyl)-2-oxo-6-phenylpyran-3-carboxamide
PubChem CID76318117
Molecular FormulaC19H16N2O4
Molecular Weight336.30 g/mol
Exact Mass336.11
IUPAC Name4-(hydroxyamino)-N-(4-methylphenyl)-2-oxo-6-phenylpyran-3-carboxamide
SMILESCC1=CC=C(C=C1)NC(=O)C2=C(C=C(OC2=O)C3=CC=CC=C3)NO
InChIInChI=1S/C19H16N2O4/c1-12-7-9-14(10-8-12)20-18(22)17-15(21-24)11-16(25-19(17)23)13-5-3-2-4-6-13/h2-11,21,24H,1H3,(H,20,22)
InChIKeyJUGYOYBTJABFNJ-UHFFFAOYSA-N
XLogP3.60
TPSA87.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity582

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 53.60
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

N-(2-aminophenyl)-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide
CID 74762649
4-(hydroxyamino)-N-(4-methoxyphenyl)-2-oxo-6-phenylpyran-3-carboxamide
CID 76310902
4-(hydroxyamino)-2-oxo-N,6-diphenylpyran-3-carboxamide
CID 76314522
4-(hydroxyamino)-N,6-bis(4-methylphenyl)-2-oxopyran-3-carboxamide
CID 76318119
N-benzyl-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide
CID 76321792
N-(4-fluorophenyl)-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide
CID 76321795
6-(4-chlorophenyl)-4-(hydroxyamino)-2-oxo-N-phenylpyran-3-carboxamide
CID 76325436
4-(hydroxyamino)-N-(3-methylphenyl)-2-oxo-6-phenylpyran-3-carboxamide
CID 76325447
4-(hydroxyamino)-6-(4-methoxyphenyl)-2-oxo-N-phenylpyran-3-carboxamide
CID 76328974
N-(4-chlorophenyl)-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide
CID 76328975
4-(hydroxyamino)-N-(2-methylphenyl)-2-oxo-6-phenylpyran-3-carboxamide
CID 76328988
N-(4-bromophenyl)-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide
CID 76332644

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxyamino)-N-(4-methylphenyl)-2-oxo-6-phenylpyran-3-carboxamide?
The IUPAC name of 4-(hydroxyamino)-N-(4-methylphenyl)-2-oxo-6-phenylpyran-3-carboxamide (CID 76318117) is 4-(hydroxyamino)-N-(4-methylphenyl)-2-oxo-6-phenylpyran-3-carboxamide.
What is the SMILES notation for 4-(hydroxyamino)-N-(4-methylphenyl)-2-oxo-6-phenylpyran-3-carboxamide?
The canonical SMILES for 4-(hydroxyamino)-N-(4-methylphenyl)-2-oxo-6-phenylpyran-3-carboxamide is CC1=CC=C(C=C1)NC(=O)C2=C(C=C(OC2=O)C3=CC=CC=C3)NO.
What is the InChIKey of 4-(hydroxyamino)-N-(4-methylphenyl)-2-oxo-6-phenylpyran-3-carboxamide?
The InChIKey is JUGYOYBTJABFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-12-7-9-14(10-8-12)20-18(22)17-15(21-24)11-16(25-19(17)23)13-5-3-2-4-6-13/h2-11,21,24H,1H3,(H,20,22).
What are the key properties of 4-(hydroxyamino)-N-(4-methylphenyl)-2-oxo-6-phenylpyran-3-carboxamide?
4-(hydroxyamino)-N-(4-methylphenyl)-2-oxo-6-phenylpyran-3-carboxamide has a molecular weight of 336.30 g/mol, XLogP of 3.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxyamino)-N-(4-methylphenyl)-2-oxo-6-phenylpyran-3-carboxamide is sourced from PubChem (CID 76318117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).