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

C18H15N3O4 — CID 74762649

IUPACN-(2-aminophenyl)-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide
SMILESNc1ccccc1NC(=O)c1c(NO)cc(-c2ccccc2)oc1=O
InChIInChI=1S/C18H15N3O4/c19-12-8-4-5-9-13(12)20-17(22)16-14(21-24)10-15(25-18(16)23)11-6-2-1-3-7-11/h1-10,21,24H,19H2,(H,20,22)
InChIKeyDVCKQOKRUACMRK-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.94
Rot. Bonds4

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

N-(2-aminophenyl)-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide (PubChem CID 74762649) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide
PubChem CID74762649
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC NameN-(2-aminophenyl)-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide
SMILESNc1ccccc1NC(=O)c1c(NO)cc(-c2ccccc2)oc1=O
InChIInChI=1S/C18H15N3O4/c19-12-8-4-5-9-13(12)20-17(22)16-14(21-24)10-15(25-18(16)23)11-6-2-1-3-7-11/h1-10,21,24H,19H2,(H,20,22)
InChIKeyDVCKQOKRUACMRK-UHFFFAOYSA-N
XLogP2.94
TPSA117.59 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide?
The IUPAC name of N-(2-aminophenyl)-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide (CID 74762649) is N-(2-aminophenyl)-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide is Nc1ccccc1NC(=O)c1c(NO)cc(-c2ccccc2)oc1=O.
What is the InChIKey of N-(2-aminophenyl)-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide?
The InChIKey is DVCKQOKRUACMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c19-12-8-4-5-9-13(12)20-17(22)16-14(21-24)10-15(25-18(16)23)11-6-2-1-3-7-11/h1-10,21,24H,19H2,(H,20,22).
What are the key properties of N-(2-aminophenyl)-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide?
N-(2-aminophenyl)-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide has a molecular weight of 337.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide is sourced from PubChem (CID 74762649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).