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

C10H14N4O3 — CID 136766539

IUPAC3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1ncccc1N1CC(O)C(O)C1
InChIInChI=1S/C10H14N4O3/c11-10(13-17)9-6(2-1-3-12-9)14-4-7(15)8(16)5-14/h1-3,7-8,15-17H,4-5H2,(H2,11,13)
InChIKeyICMLIGCJZARCNK-UHFFFAOYSA-N
MW238.25 g/mol
LogP-1.28
Rot. Bonds2

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

3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136766539) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide
PubChem CID136766539
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1ncccc1N1CC(O)C(O)C1
InChIInChI=1S/C10H14N4O3/c11-10(13-17)9-6(2-1-3-12-9)14-4-7(15)8(16)5-14/h1-3,7-8,15-17H,4-5H2,(H2,11,13)
InChIKeyICMLIGCJZARCNK-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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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide (CID 136766539) is 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide is N/C(=N/O)c1ncccc1N1CC(O)C(O)C1.
What is the InChIKey of 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is ICMLIGCJZARCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-10(13-17)9-6(2-1-3-12-9)14-4-7(15)8(16)5-14/h1-3,7-8,15-17H,4-5H2,(H2,11,13).
What are the key properties of 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide?
3-(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 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136766539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).