4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide

C10H14N4O3 — CID 136980807

IUPAC4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1cc(N2CC(O)C(O)C2)ccn1
InChIInChI=1S/C10H14N4O3/c11-10(13-17)7-3-6(1-2-12-7)14-4-8(15)9(16)5-14/h1-3,8-9,15-17H,4-5H2,(H2,11,13)
InChIKeyHHSVJFZFXYCGBI-UHFFFAOYSA-N
MW238.25 g/mol
LogP-1.28
Rot. Bonds2

About 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide

4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136980807) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide
PubChem CID136980807
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1cc(N2CC(O)C(O)C2)ccn1
InChIInChI=1S/C10H14N4O3/c11-10(13-17)7-3-6(1-2-12-7)14-4-8(15)9(16)5-14/h1-3,8-9,15-17H,4-5H2,(H2,11,13)
InChIKeyHHSVJFZFXYCGBI-UHFFFAOYSA-N
XLogP-1.28
TPSA115.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-1.28
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

5-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136766533
N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)pyridine-2-carboximidamide
CID 136967839
N'-hydroxy-4-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide
CID 136762079
1-(2-chloro-4-pyridinyl)pyrrolidine-3,4-diol
CID 106670872
1-[2-(aminomethyl)-4-pyridinyl]pyrrolidine-3,4-diol
CID 106667686
4-(2,3-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136929458
1-[2-(methylamino)-4-pyridinyl]pyrrolidine-3,4-diol
CID 106674497
3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136766539
N'-hydroxy-5-(3-hydroxypiperidin-1-yl)pyridine-2-carboximidamide
CID 136990546
N'-hydroxy-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridine-2-carboximidamide
CID 136960068
4-(6-fluoro-2,3-dihydroindol-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136750424
4-(3,4-dimethylpyrrolidin-1-yl)pyridine-2-carboximidamide
CID 79188815

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide (CID 136980807) is 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide is N/C(=N/O)c1cc(N2CC(O)C(O)C2)ccn1.
What is the InChIKey of 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is HHSVJFZFXYCGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-10(13-17)7-3-6(1-2-12-7)14-4-8(15)9(16)5-14/h1-3,8-9,15-17H,4-5H2,(H2,11,13).
What are the key properties of 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide?
4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 238.25 g/mol, XLogP of -1.28, 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'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136980807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).