N-methyl-N-(trifluoromethylsulfonyl)pyridine-3-carboxamide

C8H7F3N2O3S — CID 71032143

IUPACN-methyl-N-(trifluoromethylsulfonyl)pyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H7F3N2O3S/c1-13(17(15,16)8(9,10)11)7(14)6-3-2-4-12-5-6/h2-5H,1H3
InChIKeyHNRMILNFXOPNAT-UHFFFAOYSA-N
MW268.22 g/mol
LogP1.00
Rot. Bonds2

About N-methyl-N-(trifluoromethylsulfonyl)pyridine-3-carboxamide

N-methyl-N-(trifluoromethylsulfonyl)pyridine-3-carboxamide (PubChem CID 71032143) has the molecular formula C8H7F3N2O3S and a molecular weight of 268.22 g/mol. Its IUPAC name is N-methyl-N-(trifluoromethylsulfonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(trifluoromethylsulfonyl)pyridine-3-carboxamide
PubChem CID71032143
Molecular FormulaC8H7F3N2O3S
Molecular Weight268.22 g/mol
Exact Mass268.01
IUPAC NameN-methyl-N-(trifluoromethylsulfonyl)pyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H7F3N2O3S/c1-13(17(15,16)8(9,10)11)7(14)6-3-2-4-12-5-6/h2-5H,1H3
InChIKeyHNRMILNFXOPNAT-UHFFFAOYSA-N
XLogP1.00
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethylpyridine-3-carboxamide;ethane
CID 142562125
N,N-dimethylpyridine-3-carboxamide;hydrogen peroxide
CID 174921681
N-[2,2-dimethyl-3-[methyl(pyridine-3-carbonyl)amino]propyl]-N-methylpyridine-3-carboxamide
CID 166390474
N-(chloromethyl)-N-methylpyridine-3-carboxamide
CID 141227221
N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 79290970
1-pyridin-3-ylethanone;hydrochloride
CID 69233376
N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756365
N-methyl-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
CID 61129416
N-amino-N-hydroxypyridine-3-carboxamide
CID 54392890
3,3,3-trifluoro-2,2-dimethyl-1-pyridin-3-ylpropan-1-one
CID 174395736
tert-butyl pyridine-3-carboxylate;ethane
CID 174774588
CID 157283677
CID 157283677

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
The IUPAC name of N-methyl-N-(trifluoromethylsulfonyl)pyridine-3-carboxamide (CID 71032143) is N-methyl-N-(trifluoromethylsulfonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-(trifluoromethylsulfonyl)pyridine-3-carboxamide is CN(C(=O)c1cccnc1)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-methyl-N-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
The InChIKey is HNRMILNFXOPNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O3S/c1-13(17(15,16)8(9,10)11)7(14)6-3-2-4-12-5-6/h2-5H,1H3.
What are the key properties of N-methyl-N-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
N-methyl-N-(trifluoromethylsulfonyl)pyridine-3-carboxamide has a molecular weight of 268.22 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(trifluoromethylsulfonyl)pyridine-3-carboxamide is sourced from PubChem (CID 71032143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).