3-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboximidamide

C13H20N4 — CID 83228203

IUPAC3-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccncc1N1C(C)CCC1CC
InChIInChI=1S/C13H20N4/c1-3-10-5-4-9(2)17(10)12-8-16-7-6-11(12)13(14)15/h6-10H,3-5H2,1-2H3,(H3,14,15)
InChIKeyANQLQUFJPCJKGQ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.13
Rot. Bonds3

About 3-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboximidamide

3-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboximidamide (PubChem CID 83228203) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboximidamide
PubChem CID83228203
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name3-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccncc1N1C(C)CCC1CC
InChIInChI=1S/C13H20N4/c1-3-10-5-4-9(2)17(10)12-8-16-7-6-11(12)13(14)15/h6-10H,3-5H2,1-2H3,(H3,14,15)
InChIKeyANQLQUFJPCJKGQ-UHFFFAOYSA-N
XLogP2.13
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboximidamide?
The IUPAC name of 3-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboximidamide (CID 83228203) is 3-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboximidamide.
What is the SMILES notation for 3-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboximidamide?
The canonical SMILES for 3-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboximidamide is [H]/N=C(\N)c1ccncc1N1C(C)CCC1CC.
What is the InChIKey of 3-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboximidamide?
The InChIKey is ANQLQUFJPCJKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-3-10-5-4-9(2)17(10)12-8-16-7-6-11(12)13(14)15/h6-10H,3-5H2,1-2H3,(H3,14,15).
What are the key properties of 3-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboximidamide?
3-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboximidamide has a molecular weight of 232.33 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboximidamide is sourced from PubChem (CID 83228203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).