2,6-dimethyl-4-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carboximidamide

C12H17F3N4 — CID 81052284

IUPAC2,6-dimethyl-4-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N(C)CCC(F)(F)F)cc(C)nc1C
InChIInChI=1S/C12H17F3N4/c1-7-6-9(10(11(16)17)8(2)18-7)19(3)5-4-12(13,14)15/h6H,4-5H2,1-3H3,(H3,16,17)
InChIKeyQOPRYYBANWTJOO-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.37
Rot. Bonds4

About 2,6-dimethyl-4-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carboximidamide

2,6-dimethyl-4-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carboximidamide (PubChem CID 81052284) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is 2,6-dimethyl-4-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carboximidamide.

Molecular Properties

Compound Name2,6-dimethyl-4-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carboximidamide
PubChem CID81052284
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name2,6-dimethyl-4-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N(C)CCC(F)(F)F)cc(C)nc1C
InChIInChI=1S/C12H17F3N4/c1-7-6-9(10(11(16)17)8(2)18-7)19(3)5-4-12(13,14)15/h6H,4-5H2,1-3H3,(H3,16,17)
InChIKeyQOPRYYBANWTJOO-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 2,6-dimethyl-4-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carboximidamide?
The IUPAC name of 2,6-dimethyl-4-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carboximidamide (CID 81052284) is 2,6-dimethyl-4-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carboximidamide.
What is the SMILES notation for 2,6-dimethyl-4-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carboximidamide?
The canonical SMILES for 2,6-dimethyl-4-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carboximidamide is [H]/N=C(\N)c1c(N(C)CCC(F)(F)F)cc(C)nc1C.
What is the InChIKey of 2,6-dimethyl-4-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carboximidamide?
The InChIKey is QOPRYYBANWTJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-7-6-9(10(11(16)17)8(2)18-7)19(3)5-4-12(13,14)15/h6H,4-5H2,1-3H3,(H3,16,17).
What are the key properties of 2,6-dimethyl-4-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carboximidamide?
2,6-dimethyl-4-[methyl(3,3,3-trifluoropropyl)amino]pyridine-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 2,6-dimethyl-4-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carboximidamide is sourced from PubChem (CID 81052284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).