N-[2-(N-methylanilino)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide

C16H16F3N3O3S — CID 56500916

IUPACN-[2-(N-methylanilino)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
SMILESCN(CCNC(=O)c1cccnc1S(=O)(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H16F3N3O3S/c1-22(12-6-3-2-4-7-12)11-10-20-14(23)13-8-5-9-21-15(13)26(24,25)16(17,18)19/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyDQIGVGZEJMWHMK-UHFFFAOYSA-N
MW387.38 g/mol
LogP2.24
Rot. Bonds6

About N-[2-(N-methylanilino)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide

N-[2-(N-methylanilino)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide (PubChem CID 56500916) has the molecular formula C16H16F3N3O3S and a molecular weight of 387.38 g/mol. Its IUPAC name is N-[2-(N-methylanilino)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(N-methylanilino)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
PubChem CID56500916
Molecular FormulaC16H16F3N3O3S
Molecular Weight387.38 g/mol
Exact Mass387.09
IUPAC NameN-[2-(N-methylanilino)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
SMILESCN(CCNC(=O)c1cccnc1S(=O)(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H16F3N3O3S/c1-22(12-6-3-2-4-7-12)11-10-20-14(23)13-8-5-9-21-15(13)26(24,25)16(17,18)19/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyDQIGVGZEJMWHMK-UHFFFAOYSA-N
XLogP2.24
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 107358352
N-[2-(N-methylanilino)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 94613823
N-[3-(4-methylpiperidin-1-yl)propyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
CID 56500520
2-ethoxy-N-[2-(N-methylanilino)ethyl]benzamide
CID 25395275
N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide
CID 25395219
N-[2-(cyclohexen-1-yl)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
CID 71881401
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
4-chloro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
CID 81225507
2-chloro-5-fluoro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
CID 103939963
2,4,5-trimethyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 100710814
2-bromo-3-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 103852994
2-chloro-N-[2-(N-methylanilino)ethyl]furan-3-carboxamide
CID 106685683

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-methylanilino)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(N-methylanilino)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide (CID 56500916) is N-[2-(N-methylanilino)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(N-methylanilino)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(N-methylanilino)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide is CN(CCNC(=O)c1cccnc1S(=O)(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of N-[2-(N-methylanilino)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
The InChIKey is DQIGVGZEJMWHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3S/c1-22(12-6-3-2-4-7-12)11-10-20-14(23)13-8-5-9-21-15(13)26(24,25)16(17,18)19/h2-9H,10-11H2,1H3,(H,20,23).
What are the key properties of N-[2-(N-methylanilino)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
N-[2-(N-methylanilino)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide has a molecular weight of 387.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-methylanilino)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide is sourced from PubChem (CID 56500916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).