2-(2-ethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide

C13H17F3N4 — CID 79877395

IUPAC2-(2-ethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1N1CCCC1CC
InChIInChI=1S/C13H17F3N4/c1-2-8-4-3-7-20(8)12-9(11(17)18)5-6-10(19-12)13(14,15)16/h5-6,8H,2-4,7H2,1H3,(H3,17,18)
InChIKeyNAFOKWCEVXZJQC-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.76
Rot. Bonds3

About 2-(2-ethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide

2-(2-ethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide (PubChem CID 79877395) has the molecular formula C13H17F3N4 and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-(2-ethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2-ethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
PubChem CID79877395
Molecular FormulaC13H17F3N4
Molecular Weight286.30 g/mol
Exact Mass286.14
IUPAC Name2-(2-ethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1N1CCCC1CC
InChIInChI=1S/C13H17F3N4/c1-2-8-4-3-7-20(8)12-9(11(17)18)5-6-10(19-12)13(14,15)16/h5-6,8H,2-4,7H2,1H3,(H3,17,18)
InChIKeyNAFOKWCEVXZJQC-UHFFFAOYSA-N
XLogP2.76
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.76
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The IUPAC name of 2-(2-ethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide (CID 79877395) is 2-(2-ethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-(2-ethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The canonical SMILES for 2-(2-ethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(C(F)(F)F)nc1N1CCCC1CC.
What is the InChIKey of 2-(2-ethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The InChIKey is NAFOKWCEVXZJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4/c1-2-8-4-3-7-20(8)12-9(11(17)18)5-6-10(19-12)13(14,15)16/h5-6,8H,2-4,7H2,1H3,(H3,17,18).
What are the key properties of 2-(2-ethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide?
2-(2-ethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide has a molecular weight of 286.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 79877395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).