3-(3,4-dihydroxypyrrolidin-1-yl)pyridine-2-carboximidamide

C10H14N4O2 — CID 106669769

IUPAC3-(3,4-dihydroxypyrrolidin-1-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1N1CC(O)C(O)C1
InChIInChI=1S/C10H14N4O2/c11-10(12)9-6(2-1-3-13-9)14-4-7(15)8(16)5-14/h1-3,7-8,15-16H,4-5H2,(H3,11,12)
InChIKeyYPAJATYBIVQTNI-UHFFFAOYSA-N
MW222.25 g/mol
LogP-1.09
Rot. Bonds2

About 3-(3,4-dihydroxypyrrolidin-1-yl)pyridine-2-carboximidamide

3-(3,4-dihydroxypyrrolidin-1-yl)pyridine-2-carboximidamide (PubChem CID 106669769) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-(3,4-dihydroxypyrrolidin-1-yl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-(3,4-dihydroxypyrrolidin-1-yl)pyridine-2-carboximidamide
PubChem CID106669769
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name3-(3,4-dihydroxypyrrolidin-1-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1N1CC(O)C(O)C1
InChIInChI=1S/C10H14N4O2/c11-10(12)9-6(2-1-3-13-9)14-4-7(15)8(16)5-14/h1-3,7-8,15-16H,4-5H2,(H3,11,12)
InChIKeyYPAJATYBIVQTNI-UHFFFAOYSA-N
XLogP-1.09
TPSA106.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136766539
3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide
CID 102958427
3-[(3-hydroxypyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 62943758
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-2-carbothioamide
CID 113335717
3-[(3-hydroxypiperidin-1-yl)methyl]pyridine-2-carboximidamide
CID 62893702
3-(2-propylpiperidin-1-yl)pyridine-2-carboximidamide
CID 83055621
3-cyanopyridine-2-carboximidamide
CID 53485114
3-propan-2-ylpyridine-2-carboximidamide
CID 131699759
2-(3,4-dihydroxypyrrolidin-1-yl)-5-methylbenzenecarboximidamide
CID 107930636
3-chloro-4-(3,4-dihydroxypyrrolidin-1-yl)benzenecarboximidamide
CID 106669767
3-(1,3-dihydroisoindol-2-yl)pyrazine-2-carboximidamide
CID 62684896
3-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide
CID 165481001

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydroxypyrrolidin-1-yl)pyridine-2-carboximidamide?
The IUPAC name of 3-(3,4-dihydroxypyrrolidin-1-yl)pyridine-2-carboximidamide (CID 106669769) is 3-(3,4-dihydroxypyrrolidin-1-yl)pyridine-2-carboximidamide.
What is the SMILES notation for 3-(3,4-dihydroxypyrrolidin-1-yl)pyridine-2-carboximidamide?
The canonical SMILES for 3-(3,4-dihydroxypyrrolidin-1-yl)pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1N1CC(O)C(O)C1.
What is the InChIKey of 3-(3,4-dihydroxypyrrolidin-1-yl)pyridine-2-carboximidamide?
The InChIKey is YPAJATYBIVQTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c11-10(12)9-6(2-1-3-13-9)14-4-7(15)8(16)5-14/h1-3,7-8,15-16H,4-5H2,(H3,11,12).
What are the key properties of 3-(3,4-dihydroxypyrrolidin-1-yl)pyridine-2-carboximidamide?
3-(3,4-dihydroxypyrrolidin-1-yl)pyridine-2-carboximidamide has a molecular weight of 222.25 g/mol, XLogP of -1.09, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydroxypyrrolidin-1-yl)pyridine-2-carboximidamide is sourced from PubChem (CID 106669769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).