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

C12H19N3O2 — CID 107073560

IUPACN'-hydroxy-6-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboximidamide
SMILESCc1ccc(/C(N)=N/O)c(=O)n1CCC(C)C
InChIInChI=1S/C12H19N3O2/c1-8(2)6-7-15-9(3)4-5-10(12(15)16)11(13)14-17/h4-5,8,17H,6-7H2,1-3H3,(H2,13,14)
InChIKeyWVLREAMVWYASAQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.30
Rot. Bonds4

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

N'-hydroxy-6-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboximidamide (PubChem CID 107073560) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N'-hydroxy-6-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboximidamide
PubChem CID107073560
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN'-hydroxy-6-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboximidamide
SMILESCc1ccc(/C(N)=N/O)c(=O)n1CCC(C)C
InChIInChI=1S/C12H19N3O2/c1-8(2)6-7-15-9(3)4-5-10(12(15)16)11(13)14-17/h4-5,8,17H,6-7H2,1-3H3,(H2,13,14)
InChIKeyWVLREAMVWYASAQ-UHFFFAOYSA-N
XLogP1.30
TPSA80.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.30
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-(3-methylbutyl)-2-oxopyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboximidamide (CID 107073560) is N'-hydroxy-6-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboximidamide is Cc1ccc(/C(N)=N/O)c(=O)n1CCC(C)C.
What is the InChIKey of N'-hydroxy-6-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboximidamide?
The InChIKey is WVLREAMVWYASAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)6-7-15-9(3)4-5-10(12(15)16)11(13)14-17/h4-5,8,17H,6-7H2,1-3H3,(H2,13,14).
What are the key properties of N'-hydroxy-6-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboximidamide?
N'-hydroxy-6-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboximidamide has a molecular weight of 237.30 g/mol, XLogP of 1.30, 4 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-(3-methylbutyl)-2-oxopyridine-3-carboximidamide is sourced from PubChem (CID 107073560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).