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

C11H12F6N4 — CID 79875005

IUPAC2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1N(C)CCC(F)(F)F
InChIInChI=1S/C11H12F6N4/c1-21(5-4-10(12,13)14)9-6(8(18)19)2-3-7(20-9)11(15,16)17/h2-3H,4-5H2,1H3,(H3,18,19)
InChIKeyMJUIWWJBDJRUTH-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.77
Rot. Bonds4

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

2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide (PubChem CID 79875005) has the molecular formula C11H12F6N4 and a molecular weight of 314.23 g/mol. Its IUPAC name is 2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
PubChem CID79875005
Molecular FormulaC11H12F6N4
Molecular Weight314.23 g/mol
Exact Mass314.10
IUPAC Name2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1N(C)CCC(F)(F)F
InChIInChI=1S/C11H12F6N4/c1-21(5-4-10(12,13)14)9-6(8(18)19)2-3-7(20-9)11(15,16)17/h2-3H,4-5H2,1H3,(H3,18,19)
InChIKeyMJUIWWJBDJRUTH-UHFFFAOYSA-N
XLogP2.77
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.77
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 2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[methyl(2,2,2-trifluoroethyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877125
2-[2,2-dimethylpropyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877396
2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875830
2-[methyl-[(2-methylcyclopropyl)methyl]amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877127
2-[2-hydroxyethyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877260
2-[3-hydroxypropyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79874812
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875010
2-methyl-4-[methyl(3,3,3-trifluoropropyl)amino]benzenecarboximidamide
CID 81278791
4-[[3-carbamoyl-6-(trifluoromethyl)-2-pyridinyl]-methylamino]butanoic acid
CID 79874313
2-bromo-3-fluoro-4-[methyl(3,3,3-trifluoropropyl)amino]benzenecarboximidamide
CID 107536524
2-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-4-carboximidamide
CID 107550563
2-(2-methylbutan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877400

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide?
The IUPAC name of 2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide (CID 79875005) is 2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide?
The canonical SMILES for 2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(C(F)(F)F)nc1N(C)CCC(F)(F)F.
What is the InChIKey of 2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide?
The InChIKey is MJUIWWJBDJRUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F6N4/c1-21(5-4-10(12,13)14)9-6(8(18)19)2-3-7(20-9)11(15,16)17/h2-3H,4-5H2,1H3,(H3,18,19).
What are the key properties of 2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide?
2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide has a molecular weight of 314.23 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 79875005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).