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

C12H15F3N4O — CID 103534087

IUPAC2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1N1CCC(OC)C1
InChIInChI=1S/C12H15F3N4O/c1-20-7-4-5-19(6-7)11-8(10(16)17)2-3-9(18-11)12(13,14)15/h2-3,7H,4-6H2,1H3,(H3,16,17)
InChIKeyYKTXTMCWSNBMCH-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.61
Rot. Bonds3

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

2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide (PubChem CID 103534087) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
PubChem CID103534087
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC Name2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1N1CCC(OC)C1
InChIInChI=1S/C12H15F3N4O/c1-20-7-4-5-19(6-7)11-8(10(16)17)2-3-9(18-11)12(13,14)15/h2-3,7H,4-6H2,1H3,(H3,16,17)
InChIKeyYKTXTMCWSNBMCH-UHFFFAOYSA-N
XLogP1.61
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.61
H-Bond Donors ≤ 52
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-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 104958902
2-(4-methoxypiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79876517
2-(4-hydroxy-4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 81096071
[2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 103530731
2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79876922
2-(4-methoxypiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide
CID 43372984
2-(1,4-oxazepan-4-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79876857
2-(2-ethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877395
(E)-3-[2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enoic acid
CID 59598130
2-chloro-4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide
CID 103534098
5-(3-methoxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 102958460
4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide
CID 103534085

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The IUPAC name of 2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide (CID 103534087) is 2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The canonical SMILES for 2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(C(F)(F)F)nc1N1CCC(OC)C1.
What is the InChIKey of 2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The InChIKey is YKTXTMCWSNBMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c1-20-7-4-5-19(6-7)11-8(10(16)17)2-3-9(18-11)12(13,14)15/h2-3,7H,4-6H2,1H3,(H3,16,17).
What are the key properties of 2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide?
2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide has a molecular weight of 288.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 103534087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).