2-heptoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide

C14H23N3O2 — CID 76916332

IUPAC2-heptoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCCCCCCCOc1nc(C)ccc1C(N)=NO
InChIInChI=1S/C14H23N3O2/c1-3-4-5-6-7-10-19-14-12(13(15)17-18)9-8-11(2)16-14/h8-9,18H,3-7,10H2,1-2H3,(H2,15,17)
InChIKeyMBWBFNAKRGDBSO-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.83
Rot. Bonds8

About 2-heptoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide

2-heptoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide (PubChem CID 76916332) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-heptoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-heptoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
PubChem CID76916332
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-heptoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCCCCCCCOc1nc(C)ccc1C(N)=NO
InChIInChI=1S/C14H23N3O2/c1-3-4-5-6-7-10-19-14-12(13(15)17-18)9-8-11(2)16-14/h8-9,18H,3-7,10H2,1-2H3,(H2,15,17)
InChIKeyMBWBFNAKRGDBSO-UHFFFAOYSA-N
XLogP2.83
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-ethoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916350
2-[3-(dimethylamino)propoxy]-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916311
N'-hydroxy-6-methyl-2-(4,4,4-trifluorobutoxy)pyridine-3-carboximidamide
CID 82788948
2-(2-cyclobutylethoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 114157502
2-(2-ethoxyphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916371
N'-hydroxy-4-methyl-2-octoxybenzenecarboximidamide
CID 76999670
N'-hydroxy-6-methyl-2-[methyl(pentyl)amino]pyridine-3-carboximidamide
CID 76916150
N'-hydroxy-6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboximidamide
CID 77102488
N'-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide
CID 56675946
2-bromo-4-heptoxy-N'-hydroxybenzenecarboximidamide
CID 107278949
2-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 77054170
N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-6-methylpyridine-3-carboximidamide
CID 76916322

Frequently Asked Questions

What is the IUPAC name of 2-heptoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The IUPAC name of 2-heptoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide (CID 76916332) is 2-heptoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-heptoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-heptoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide is CCCCCCCOc1nc(C)ccc1C(N)=NO.
What is the InChIKey of 2-heptoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The InChIKey is MBWBFNAKRGDBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-4-5-6-7-10-19-14-12(13(15)17-18)9-8-11(2)16-14/h8-9,18H,3-7,10H2,1-2H3,(H2,15,17).
What are the key properties of 2-heptoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide?
2-heptoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide has a molecular weight of 265.36 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 76916332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).