N'-hydroxy-4-(3-methoxypropoxy)-2,6-dimethylpyridine-3-carboximidamide

C12H19N3O3 — CID 81054457

IUPACN'-hydroxy-4-(3-methoxypropoxy)-2,6-dimethylpyridine-3-carboximidamide
SMILESCOCCCOc1cc(C)nc(C)c1/C(N)=N/O
InChIInChI=1S/C12H19N3O3/c1-8-7-10(18-6-4-5-17-3)11(9(2)14-8)12(13)15-16/h7,16H,4-6H2,1-3H3,(H2,13,15)
InChIKeyCIQCZWNSARJXSL-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.21
Rot. Bonds6

About N'-hydroxy-4-(3-methoxypropoxy)-2,6-dimethylpyridine-3-carboximidamide

N'-hydroxy-4-(3-methoxypropoxy)-2,6-dimethylpyridine-3-carboximidamide (PubChem CID 81054457) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N'-hydroxy-4-(3-methoxypropoxy)-2,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(3-methoxypropoxy)-2,6-dimethylpyridine-3-carboximidamide
PubChem CID81054457
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN'-hydroxy-4-(3-methoxypropoxy)-2,6-dimethylpyridine-3-carboximidamide
SMILESCOCCCOc1cc(C)nc(C)c1/C(N)=N/O
InChIInChI=1S/C12H19N3O3/c1-8-7-10(18-6-4-5-17-3)11(9(2)14-8)12(13)15-16/h7,16H,4-6H2,1-3H3,(H2,13,15)
InChIKeyCIQCZWNSARJXSL-UHFFFAOYSA-N
XLogP1.21
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

N'-hydroxy-4-(2-hydroxyethoxy)-2,6-dimethylpyridine-3-carboximidamide
CID 81054803
N'-hydroxy-4-(1-methoxypropan-2-yloxy)-2,6-dimethylpyridine-3-carboximidamide
CID 81054528
N'-hydroxy-4-(2-methoxyphenoxy)-2,6-dimethylpyridine-3-carboximidamide
CID 81035865
N'-hydroxy-2,6-dimethyl-4-(4-methylpentan-2-yloxy)pyridine-3-carboximidamide
CID 81054526
4-cyclobutyloxy-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81054177
N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]-2,6-dimethylpyridine-3-carboximidamide
CID 81036684
4-(1-ethoxypropan-2-yloxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 103488491
N'-hydroxy-4-[1-methoxypropan-2-yl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81054520
N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 104562174
4-(4,4-dimethylcyclohexyl)oxy-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 114341143
N'-hydroxy-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide
CID 81053895
4-(2,4-difluorophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81036289

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(3-methoxypropoxy)-2,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-4-(3-methoxypropoxy)-2,6-dimethylpyridine-3-carboximidamide (CID 81054457) is N'-hydroxy-4-(3-methoxypropoxy)-2,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-(3-methoxypropoxy)-2,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-4-(3-methoxypropoxy)-2,6-dimethylpyridine-3-carboximidamide is COCCCOc1cc(C)nc(C)c1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-4-(3-methoxypropoxy)-2,6-dimethylpyridine-3-carboximidamide?
The InChIKey is CIQCZWNSARJXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8-7-10(18-6-4-5-17-3)11(9(2)14-8)12(13)15-16/h7,16H,4-6H2,1-3H3,(H2,13,15).
What are the key properties of N'-hydroxy-4-(3-methoxypropoxy)-2,6-dimethylpyridine-3-carboximidamide?
N'-hydroxy-4-(3-methoxypropoxy)-2,6-dimethylpyridine-3-carboximidamide has a molecular weight of 253.30 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(3-methoxypropoxy)-2,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 81054457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).