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

C19H16N2O5 — CID 90467597

IUPAC4-(hydroxyamino)-N-(2-methoxyphenyl)-2-oxo-6-phenylpyran-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1c(NO)cc(-c2ccccc2)oc1=O
InChIInChI=1S/C19H16N2O5/c1-25-15-10-6-5-9-13(15)20-18(22)17-14(21-24)11-16(26-19(17)23)12-7-3-2-4-8-12/h2-11,21,24H,1H3,(H,20,22)
InChIKeyJUWOMZZEMBEISF-UHFFFAOYSA-N
MW352.35 g/mol
LogP3.37
Rot. Bonds5

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

4-(hydroxyamino)-N-(2-methoxyphenyl)-2-oxo-6-phenylpyran-3-carboxamide (PubChem CID 90467597) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is 4-(hydroxyamino)-N-(2-methoxyphenyl)-2-oxo-6-phenylpyran-3-carboxamide.

Molecular Properties

Compound Name4-(hydroxyamino)-N-(2-methoxyphenyl)-2-oxo-6-phenylpyran-3-carboxamide
PubChem CID90467597
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name4-(hydroxyamino)-N-(2-methoxyphenyl)-2-oxo-6-phenylpyran-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1c(NO)cc(-c2ccccc2)oc1=O
InChIInChI=1S/C19H16N2O5/c1-25-15-10-6-5-9-13(15)20-18(22)17-14(21-24)11-16(26-19(17)23)12-7-3-2-4-8-12/h2-11,21,24H,1H3,(H,20,22)
InChIKeyJUWOMZZEMBEISF-UHFFFAOYSA-N
XLogP3.37
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxyamino)-N-(2-methoxyphenyl)-2-oxo-6-phenylpyran-3-carboxamide?
The IUPAC name of 4-(hydroxyamino)-N-(2-methoxyphenyl)-2-oxo-6-phenylpyran-3-carboxamide (CID 90467597) is 4-(hydroxyamino)-N-(2-methoxyphenyl)-2-oxo-6-phenylpyran-3-carboxamide.
What is the SMILES notation for 4-(hydroxyamino)-N-(2-methoxyphenyl)-2-oxo-6-phenylpyran-3-carboxamide?
The canonical SMILES for 4-(hydroxyamino)-N-(2-methoxyphenyl)-2-oxo-6-phenylpyran-3-carboxamide is COc1ccccc1NC(=O)c1c(NO)cc(-c2ccccc2)oc1=O.
What is the InChIKey of 4-(hydroxyamino)-N-(2-methoxyphenyl)-2-oxo-6-phenylpyran-3-carboxamide?
The InChIKey is JUWOMZZEMBEISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-25-15-10-6-5-9-13(15)20-18(22)17-14(21-24)11-16(26-19(17)23)12-7-3-2-4-8-12/h2-11,21,24H,1H3,(H,20,22).
What are the key properties of 4-(hydroxyamino)-N-(2-methoxyphenyl)-2-oxo-6-phenylpyran-3-carboxamide?
4-(hydroxyamino)-N-(2-methoxyphenyl)-2-oxo-6-phenylpyran-3-carboxamide has a molecular weight of 352.35 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxyamino)-N-(2-methoxyphenyl)-2-oxo-6-phenylpyran-3-carboxamide is sourced from PubChem (CID 90467597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).