4-[ethyl(2,2,2-trifluoroethyl)amino]-2,6-dimethylpyridine-3-carboximidamide

C12H17F3N4 — CID 81054399

IUPAC4-[ethyl(2,2,2-trifluoroethyl)amino]-2,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N(CC)CC(F)(F)F)cc(C)nc1C
InChIInChI=1S/C12H17F3N4/c1-4-19(6-12(13,14)15)9-5-7(2)18-8(3)10(9)11(16)17/h5H,4,6H2,1-3H3,(H3,16,17)
InChIKeyWMEMCYQRBUXICS-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.37
Rot. Bonds4

About 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,6-dimethylpyridine-3-carboximidamide

4-[ethyl(2,2,2-trifluoroethyl)amino]-2,6-dimethylpyridine-3-carboximidamide (PubChem CID 81054399) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name4-[ethyl(2,2,2-trifluoroethyl)amino]-2,6-dimethylpyridine-3-carboximidamide
PubChem CID81054399
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name4-[ethyl(2,2,2-trifluoroethyl)amino]-2,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N(CC)CC(F)(F)F)cc(C)nc1C
InChIInChI=1S/C12H17F3N4/c1-4-19(6-12(13,14)15)9-5-7(2)18-8(3)10(9)11(16)17/h5H,4,6H2,1-3H3,(H3,16,17)
InChIKeyWMEMCYQRBUXICS-UHFFFAOYSA-N
XLogP2.37
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.37
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 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,6-dimethylpyridine-3-carboximidamide (CID 81054399) is 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,6-dimethylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(N(CC)CC(F)(F)F)cc(C)nc1C.
What is the InChIKey of 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,6-dimethylpyridine-3-carboximidamide?
The InChIKey is WMEMCYQRBUXICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-4-19(6-12(13,14)15)9-5-7(2)18-8(3)10(9)11(16)17/h5H,4,6H2,1-3H3,(H3,16,17).
What are the key properties of 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,6-dimethylpyridine-3-carboximidamide?
4-[ethyl(2,2,2-trifluoroethyl)amino]-2,6-dimethylpyridine-3-carboximidamide has a molecular weight of 274.29 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 81054399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).