N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide

C16H16F3N3O3S — CID 113070892

IUPACN-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide
SMILESCS(=O)(=O)N(CCNC(=O)c1cccnc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H16F3N3O3S/c1-26(24,25)22(14-7-3-2-6-13(14)16(17,18)19)10-9-21-15(23)12-5-4-8-20-11-12/h2-8,11H,9-10H2,1H3,(H,21,23)
InChIKeyDUYLQJOSHZYNLJ-UHFFFAOYSA-N
MW387.38 g/mol
LogP2.30
Rot. Bonds6

About N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide

N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide (PubChem CID 113070892) has the molecular formula C16H16F3N3O3S and a molecular weight of 387.38 g/mol. Its IUPAC name is N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide
PubChem CID113070892
Molecular FormulaC16H16F3N3O3S
Molecular Weight387.38 g/mol
Exact Mass387.09
IUPAC NameN-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide
SMILESCS(=O)(=O)N(CCNC(=O)c1cccnc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H16F3N3O3S/c1-26(24,25)22(14-7-3-2-6-13(14)16(17,18)19)10-9-21-15(23)12-5-4-8-20-11-12/h2-8,11H,9-10H2,1H3,(H,21,23)
InChIKeyDUYLQJOSHZYNLJ-UHFFFAOYSA-N
XLogP2.30
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]pyridine-3-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-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
CID 113069126
2-methyl-N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]propanamide
CID 113070881
tert-butyl N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]carbamate
CID 113070895
N-[3-[[2-(trifluoromethyl)benzoyl]amino]propyl]pyridine-3-carboxamide
CID 108926636
N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
CID 113070510
N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113069583
N-[2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]ethyl]pyridine-3-carboxamide
CID 113067780
N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
CID 113070266
N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 91045435
N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane
CID 139199292
N-[2-(N-acetyl-2-chloroanilino)ethyl]pyridine-3-carboxamide
CID 113059444
N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]pyridine-3-carboxamide
CID 55690188

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide (CID 113070892) is N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide is CS(=O)(=O)N(CCNC(=O)c1cccnc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide?
The InChIKey is DUYLQJOSHZYNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3S/c1-26(24,25)22(14-7-3-2-6-13(14)16(17,18)19)10-9-21-15(23)12-5-4-8-20-11-12/h2-8,11H,9-10H2,1H3,(H,21,23).
What are the key properties of N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide?
N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide has a molecular weight of 387.38 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 113070892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).