N'-hydroxy-4-(2-oxo-1-pyridinyl)benzenecarboximidamide

C12H11N3O2 — CID 76573123

IUPACN'-hydroxy-4-(2-oxo-1-pyridinyl)benzenecarboximidamide
SMILESNC(=NO)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C12H11N3O2/c13-12(14-17)9-4-6-10(7-5-9)15-8-2-1-3-11(15)16/h1-8,17H,(H2,13,14)
InChIKeyCBQGTEAZKFDDNU-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.93
Rot. Bonds2

About N'-hydroxy-4-(2-oxo-1-pyridinyl)benzenecarboximidamide

N'-hydroxy-4-(2-oxo-1-pyridinyl)benzenecarboximidamide (PubChem CID 76573123) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is N'-hydroxy-4-(2-oxo-1-pyridinyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(2-oxo-1-pyridinyl)benzenecarboximidamide
PubChem CID76573123
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC NameN'-hydroxy-4-(2-oxo-1-pyridinyl)benzenecarboximidamide
SMILESNC(=NO)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C12H11N3O2/c13-12(14-17)9-4-6-10(7-5-9)15-8-2-1-3-11(15)16/h1-8,17H,(H2,13,14)
InChIKeyCBQGTEAZKFDDNU-UHFFFAOYSA-N
XLogP0.93
TPSA80.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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'-hydroxy-4-(2-oxo-1-pyridinyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(2-oxo-1-pyridinyl)benzenecarboximidamide (CID 76573123) is N'-hydroxy-4-(2-oxo-1-pyridinyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(2-oxo-1-pyridinyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(2-oxo-1-pyridinyl)benzenecarboximidamide is NC(=NO)c1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of N'-hydroxy-4-(2-oxo-1-pyridinyl)benzenecarboximidamide?
The InChIKey is CBQGTEAZKFDDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c13-12(14-17)9-4-6-10(7-5-9)15-8-2-1-3-11(15)16/h1-8,17H,(H2,13,14).
What are the key properties of N'-hydroxy-4-(2-oxo-1-pyridinyl)benzenecarboximidamide?
N'-hydroxy-4-(2-oxo-1-pyridinyl)benzenecarboximidamide has a molecular weight of 229.24 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(2-oxo-1-pyridinyl)benzenecarboximidamide is sourced from PubChem (CID 76573123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).