6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboximidamide

C12H18N4O — CID 114797876

IUPAC6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(N2CCC(CCO)C2)n1
InChIInChI=1S/C12H18N4O/c13-12(14)10-2-1-3-11(15-10)16-6-4-9(8-16)5-7-17/h1-3,9,17H,4-8H2,(H3,13,14)
InChIKeyGTEYOLURSZUCLU-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.57
Rot. Bonds4

About 6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboximidamide

6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboximidamide (PubChem CID 114797876) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboximidamide
PubChem CID114797876
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(N2CCC(CCO)C2)n1
InChIInChI=1S/C12H18N4O/c13-12(14)10-2-1-3-11(15-10)16-6-4-9(8-16)5-7-17/h1-3,9,17H,4-8H2,(H3,13,14)
InChIKeyGTEYOLURSZUCLU-UHFFFAOYSA-N
XLogP0.57
TPSA86.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-ethylsulfanyl-6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 114797865
2-fluoro-6-[3-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 107227616
6-(4,4-diethylpiperidin-1-yl)pyridine-2-carboximidamide
CID 64596347
2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228577
6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboximidamide
CID 64594944
6-(4-tert-butylpiperazin-1-yl)pyridine-2-carboximidamide
CID 64594178
4-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]pyridine-2-carboximidamide
CID 114797902
2-[(3R)-3-(2-hydroxyethyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid
CID 174844427
2-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]ethanol
CID 114799166
pyridine-2,6-dicarboximidamide
CID 23373306
2-[1-(3-aminophenyl)pyrrolidin-3-yl]ethanol
CID 114796856
2-[1-(6-amino-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 114802916

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboximidamide?
The IUPAC name of 6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboximidamide (CID 114797876) is 6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboximidamide.
What is the SMILES notation for 6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboximidamide?
The canonical SMILES for 6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboximidamide is [H]/N=C(\N)c1cccc(N2CCC(CCO)C2)n1.
What is the InChIKey of 6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboximidamide?
The InChIKey is GTEYOLURSZUCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-12(14)10-2-1-3-11(15-10)16-6-4-9(8-16)5-7-17/h1-3,9,17H,4-8H2,(H3,13,14).
What are the key properties of 6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboximidamide?
6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboximidamide has a molecular weight of 234.30 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboximidamide is sourced from PubChem (CID 114797876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).