N-(2-methylpropylsulfonyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

C12H15F3N2O4S — CID 99775639

IUPACN-(2-methylpropylsulfonyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCC(C)CS(=O)(=O)NC(=O)c1ncccc1OCC(F)(F)F
InChIInChI=1S/C12H15F3N2O4S/c1-8(2)6-22(19,20)17-11(18)10-9(4-3-5-16-10)21-7-12(13,14)15/h3-5,8H,6-7H2,1-2H3,(H,17,18)
InChIKeyBQYAWUWFHWWZLS-UHFFFAOYSA-N
MW340.32 g/mol
LogP1.74
Rot. Bonds6

About N-(2-methylpropylsulfonyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

N-(2-methylpropylsulfonyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (PubChem CID 99775639) has the molecular formula C12H15F3N2O4S and a molecular weight of 340.32 g/mol. Its IUPAC name is N-(2-methylpropylsulfonyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropylsulfonyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
PubChem CID99775639
Molecular FormulaC12H15F3N2O4S
Molecular Weight340.32 g/mol
Exact Mass340.07
IUPAC NameN-(2-methylpropylsulfonyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCC(C)CS(=O)(=O)NC(=O)c1ncccc1OCC(F)(F)F
InChIInChI=1S/C12H15F3N2O4S/c1-8(2)6-22(19,20)17-11(18)10-9(4-3-5-16-10)21-7-12(13,14)15/h3-5,8H,6-7H2,1-2H3,(H,17,18)
InChIKeyBQYAWUWFHWWZLS-UHFFFAOYSA-N
XLogP1.74
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methylpropylsulfonyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide 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

N-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 71914978
N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 96535013
N-(5-cyano-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 71974502
[4-(1-aminoethyl)piperidin-1-yl]-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone
CID 166227834
(2,6-dimethylthiomorpholin-4-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone
CID 71974411
methyl 2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)benzoate
CID 54424942
2-tert-butyl-3-(2,2,2-trifluoroethoxy)pyridine
CID 167245617
[(3S)-3-methylpiperazin-1-yl]-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone
CID 124591094
N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;hydrochloride
CID 120998482
3-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)pyridine
CID 164741273
1-[3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-pyridinyl]ethanone
CID 172850799
3-(2-methylpropylsulfonyl)pyridine-2-carboxylic acid
CID 154048459

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropylsulfonyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The IUPAC name of N-(2-methylpropylsulfonyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (CID 99775639) is N-(2-methylpropylsulfonyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-methylpropylsulfonyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-(2-methylpropylsulfonyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is CC(C)CS(=O)(=O)NC(=O)c1ncccc1OCC(F)(F)F.
What is the InChIKey of N-(2-methylpropylsulfonyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The InChIKey is BQYAWUWFHWWZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O4S/c1-8(2)6-22(19,20)17-11(18)10-9(4-3-5-16-10)21-7-12(13,14)15/h3-5,8H,6-7H2,1-2H3,(H,17,18).
What are the key properties of N-(2-methylpropylsulfonyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
N-(2-methylpropylsulfonyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide has a molecular weight of 340.32 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropylsulfonyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 99775639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).