N'-hydroxy-5-methyl-6-(2-methylpropyl)pyridine-3-carboximidamide

C11H17N3O — CID 59392485

IUPACN'-hydroxy-5-methyl-6-(2-methylpropyl)pyridine-3-carboximidamide
SMILESCc1cc(/C(N)=N/O)cnc1CC(C)C
InChIInChI=1S/C11H17N3O/c1-7(2)4-10-8(3)5-9(6-13-10)11(12)14-15/h5-7,15H,4H2,1-3H3,(H2,12,14)
InChIKeyPTWRUXWIMCBVLB-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.68
Rot. Bonds3

About N'-hydroxy-5-methyl-6-(2-methylpropyl)pyridine-3-carboximidamide

N'-hydroxy-5-methyl-6-(2-methylpropyl)pyridine-3-carboximidamide (PubChem CID 59392485) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N'-hydroxy-5-methyl-6-(2-methylpropyl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-methyl-6-(2-methylpropyl)pyridine-3-carboximidamide
PubChem CID59392485
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN'-hydroxy-5-methyl-6-(2-methylpropyl)pyridine-3-carboximidamide
SMILESCc1cc(/C(N)=N/O)cnc1CC(C)C
InChIInChI=1S/C11H17N3O/c1-7(2)4-10-8(3)5-9(6-13-10)11(12)14-15/h5-7,15H,4H2,1-3H3,(H2,12,14)
InChIKeyPTWRUXWIMCBVLB-UHFFFAOYSA-N
XLogP1.68
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

5-amino-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 178051191
N'-hydroxy-2-methylpyrimidine-5-carboximidamide
CID 177352508
N'-hydroxy-4-(2-methylpropyl)benzenecarboximidamide
CID 96670524
[2-ethyl-4-(N'-hydroxycarbamimidoyl)-6-methylphenyl] 5,6-diethylpyridine-3-carboxylate
CID 91380660
N'-hydroxy-2-propan-2-yloxypyrimidine-5-carboximidamide
CID 83879802
N'-hydroxy-3-methyl-4-[methyl(2-methylpropyl)amino]benzenecarboximidamide
CID 54934017
6-[ethyl(propan-2-yl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 43265833
N'-hydroxy-3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide
CID 77068937
N'-hydroxy-4-(1-hydroxypropan-2-ylsulfanylmethyl)-3-methylbenzenecarboximidamide
CID 114484122
N'-hydroxy-2,3-dimethylimidazo[4,5-b]pyridine-6-carboximidamide
CID 83882363
4-(2-fluoroethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
CID 80695553
5-chloro-N'-hydroxy-6-methylsulfanylpyridine-3-carboximidamide
CID 23288277

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-methyl-6-(2-methylpropyl)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-5-methyl-6-(2-methylpropyl)pyridine-3-carboximidamide (CID 59392485) is N'-hydroxy-5-methyl-6-(2-methylpropyl)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-methyl-6-(2-methylpropyl)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-5-methyl-6-(2-methylpropyl)pyridine-3-carboximidamide is Cc1cc(/C(N)=N/O)cnc1CC(C)C.
What is the InChIKey of N'-hydroxy-5-methyl-6-(2-methylpropyl)pyridine-3-carboximidamide?
The InChIKey is PTWRUXWIMCBVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7(2)4-10-8(3)5-9(6-13-10)11(12)14-15/h5-7,15H,4H2,1-3H3,(H2,12,14).
What are the key properties of N'-hydroxy-5-methyl-6-(2-methylpropyl)pyridine-3-carboximidamide?
N'-hydroxy-5-methyl-6-(2-methylpropyl)pyridine-3-carboximidamide has a molecular weight of 207.28 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-methyl-6-(2-methylpropyl)pyridine-3-carboximidamide is sourced from PubChem (CID 59392485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).