N-butyl-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridine-3-carboxamide

C13H14F6N2O — CID 78884593

IUPACN-butyl-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H14F6N2O/c1-2-3-6-21(8-12(14,15)16)11(22)9-4-5-10(20-7-9)13(17,18)19/h4-5,7H,2-3,6,8H2,1H3
InChIKeyRYPHCEARRQISSE-UHFFFAOYSA-N
MW328.26 g/mol
LogP3.90
Rot. Bonds5

About N-butyl-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridine-3-carboxamide

N-butyl-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 78884593) has the molecular formula C13H14F6N2O and a molecular weight of 328.26 g/mol. Its IUPAC name is N-butyl-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID78884593
Molecular FormulaC13H14F6N2O
Molecular Weight328.26 g/mol
Exact Mass328.10
IUPAC NameN-butyl-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H14F6N2O/c1-2-3-6-21(8-12(14,15)16)11(22)9-4-5-10(20-7-9)13(17,18)19/h4-5,7H,2-3,6,8H2,1H3
InChIKeyRYPHCEARRQISSE-UHFFFAOYSA-N
XLogP3.90
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.26
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-butyl-N-(2,2,2-trifluoroethyl)benzamide
CID 54906063
N-methyl-N-[2-[methyl-[6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 112843302
butyl 6-(trifluoromethyl)pyridine-3-carboxylate
CID 112725076
6-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 103857272
N-ethyl-N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 78970661
4-[butyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-2-carboxylic acid
CID 119181552
N-butyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 78883116
N-butyl-3-chloro-N-(2,2,2-trifluoroethyl)benzamide
CID 78883501
6-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 66462930
4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103915592
N-butyl-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 113240838
N-butyl-4-(difluoromethoxy)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 55661909

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-butyl-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 78884593) is N-butyl-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-butyl-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridine-3-carboxamide is CCCCN(CC(F)(F)F)C(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-butyl-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is RYPHCEARRQISSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F6N2O/c1-2-3-6-21(8-12(14,15)16)11(22)9-4-5-10(20-7-9)13(17,18)19/h4-5,7H,2-3,6,8H2,1H3.
What are the key properties of N-butyl-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
N-butyl-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 328.26 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 78884593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).