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

C11H11F6N3O — CID 79875830

IUPAC2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCN(CCC(F)(F)F)c1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C11H11F6N3O/c1-20(5-4-10(12,13)14)9-6(8(18)21)2-3-7(19-9)11(15,16)17/h2-3H,4-5H2,1H3,(H2,18,21)
InChIKeyULTOHERBWIRWEB-UHFFFAOYSA-N
MW315.22 g/mol
LogP2.59
Rot. Bonds4

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

2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79875830) has the molecular formula C11H11F6N3O and a molecular weight of 315.22 g/mol. Its IUPAC name is 2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79875830
Molecular FormulaC11H11F6N3O
Molecular Weight315.22 g/mol
Exact Mass315.08
IUPAC Name2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCN(CCC(F)(F)F)c1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C11H11F6N3O/c1-20(5-4-10(12,13)14)9-6(8(18)21)2-3-7(19-9)11(15,16)17/h2-3H,4-5H2,1H3,(H2,18,21)
InChIKeyULTOHERBWIRWEB-UHFFFAOYSA-N
XLogP2.59
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79875830) is 2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide is CN(CCC(F)(F)F)c1nc(C(F)(F)F)ccc1C(N)=O.
What is the InChIKey of 2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is ULTOHERBWIRWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6N3O/c1-20(5-4-10(12,13)14)9-6(8(18)21)2-3-7(19-9)11(15,16)17/h2-3H,4-5H2,1H3,(H2,18,21).
What are the key properties of 2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 315.22 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 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-carboxamide is sourced from PubChem (CID 79875830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).