N'-hydroxy-6-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carboximidamide

C11H17N3O2 — CID 97058136

IUPACN'-hydroxy-6-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carboximidamide
SMILESCc1ccc(/C(N)=N\O)c(=O)n1CC(C)C
InChIInChI=1S/C11H17N3O2/c1-7(2)6-14-8(3)4-5-9(11(14)15)10(12)13-16/h4-5,7,16H,6H2,1-3H3,(H2,12,13)
InChIKeyJNJNHZYAHIPOSQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.91
Rot. Bonds3

About N'-hydroxy-6-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carboximidamide

N'-hydroxy-6-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carboximidamide (PubChem CID 97058136) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N'-hydroxy-6-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carboximidamide
PubChem CID97058136
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN'-hydroxy-6-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carboximidamide
SMILESCc1ccc(/C(N)=N\O)c(=O)n1CC(C)C
InChIInChI=1S/C11H17N3O2/c1-7(2)6-14-8(3)4-5-9(11(14)15)10(12)13-16/h4-5,7,16H,6H2,1-3H3,(H2,12,13)
InChIKeyJNJNHZYAHIPOSQ-UHFFFAOYSA-N
XLogP0.91
TPSA80.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.91
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-6-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carboximidamide (CID 97058136) is N'-hydroxy-6-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carboximidamide is Cc1ccc(/C(N)=N\O)c(=O)n1CC(C)C.
What is the InChIKey of N'-hydroxy-6-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carboximidamide?
The InChIKey is JNJNHZYAHIPOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7(2)6-14-8(3)4-5-9(11(14)15)10(12)13-16/h4-5,7,16H,6H2,1-3H3,(H2,12,13).
What are the key properties of N'-hydroxy-6-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carboximidamide?
N'-hydroxy-6-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carboximidamide has a molecular weight of 223.28 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carboximidamide is sourced from PubChem (CID 97058136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).