4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide

C12H18N4O3 — CID 106669723

IUPAC4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(N2CC(O)C(O)C2)c(/C(N)=N/O)c(C)n1
InChIInChI=1S/C12H18N4O3/c1-6-3-8(16-4-9(17)10(18)5-16)11(7(2)14-6)12(13)15-19/h3,9-10,17-19H,4-5H2,1-2H3,(H2,13,15)
InChIKeyOSIPXQJYGVMDNY-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.67
Rot. Bonds2

About 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide

4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide (PubChem CID 106669723) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
PubChem CID106669723
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(N2CC(O)C(O)C2)c(/C(N)=N/O)c(C)n1
InChIInChI=1S/C12H18N4O3/c1-6-3-8(16-4-9(17)10(18)5-16)11(7(2)14-6)12(13)15-19/h3,9-10,17-19H,4-5H2,1-2H3,(H2,13,15)
InChIKeyOSIPXQJYGVMDNY-UHFFFAOYSA-N
XLogP-0.67
TPSA115.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81053897
N'-hydroxy-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide
CID 115965345
N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide
CID 103533946
N'-hydroxy-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2,6-dimethylpyridine-3-carboximidamide
CID 102933012
N'-hydroxy-2,6-dimethyl-4-(2,2,6-trimethylmorpholin-4-yl)pyridine-3-carboximidamide
CID 81038142
N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide
CID 106587056
4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81053967
N'-hydroxy-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide
CID 102781359
N'-hydroxy-2,6-dimethyl-4-(2-propylpiperidin-1-yl)pyridine-3-carboximidamide
CID 83046252
N'-hydroxy-2,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboximidamide
CID 81054872
4-(4-hydroxypiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide
CID 81060329
2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 114017234

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide (CID 106669723) is 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide is Cc1cc(N2CC(O)C(O)C2)c(/C(N)=N/O)c(C)n1.
What is the InChIKey of 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
The InChIKey is OSIPXQJYGVMDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-6-3-8(16-4-9(17)10(18)5-16)11(7(2)14-6)12(13)15-19/h3,9-10,17-19H,4-5H2,1-2H3,(H2,13,15).
What are the key properties of 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide has a molecular weight of 266.30 g/mol, XLogP of -0.67, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 106669723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).