N-ethyl-3-(trifluoromethyl)pyridine-4-carboxamide

C9H9F3N2O — CID 142421392

IUPACN-ethyl-3-(trifluoromethyl)pyridine-4-carboxamide
SMILESCCNC(=O)c1ccncc1C(F)(F)F
InChIInChI=1S/C9H9F3N2O/c1-2-14-8(15)6-3-4-13-5-7(6)9(10,11)12/h3-5H,2H2,1H3,(H,14,15)
InChIKeyISBRMHUEPNXQKR-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.85
Rot. Bonds2

About N-ethyl-3-(trifluoromethyl)pyridine-4-carboxamide

N-ethyl-3-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 142421392) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is N-ethyl-3-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID142421392
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC NameN-ethyl-3-(trifluoromethyl)pyridine-4-carboxamide
SMILESCCNC(=O)c1ccncc1C(F)(F)F
InChIInChI=1S/C9H9F3N2O/c1-2-14-8(15)6-3-4-13-5-7(6)9(10,11)12/h3-5H,2H2,1H3,(H,14,15)
InChIKeyISBRMHUEPNXQKR-UHFFFAOYSA-N
XLogP1.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-(trifluoromethyl)pyridine-4-carboxamide
CID 58243648
N-[(2R)-2-hydroxy-3-methylbutyl]-3-(trifluoromethyl)pyridine-4-carboxamide
CID 99779539
3-N,4-N-diethylpyridine-3,4-dicarboxamide
CID 14527703
N-ethyl-3-(methylamino)pyridine-4-carboxamide
CID 105068179
3-(trifluoromethyl)pyridine-4-carboxylate
CID 26986367
N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)pyridine-4-carboxamide
CID 138001583
tert-butyl N-[[3-(trifluoromethyl)pyridine-4-carbonyl]amino]carbamate
CID 175174344
N-(3,5-difluoro-4-methylsulfanylphenyl)-3-(trifluoromethyl)pyridine-4-carboxamide
CID 122158437
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridine-4-carboxamide
CID 122158392
5-bromo-N-ethyl-2-(trifluoromethyl)benzamide
CID 146021308
methanol;methyl 3-(trifluoromethyl)pyridine-4-carboxylate;3-(trifluoromethyl)pyridine-4-carbonyl chloride
CID 158055243
N-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridine-4-carboxamide
CID 154789749

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-ethyl-3-(trifluoromethyl)pyridine-4-carboxamide (CID 142421392) is N-ethyl-3-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-3-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-ethyl-3-(trifluoromethyl)pyridine-4-carboxamide is CCNC(=O)c1ccncc1C(F)(F)F.
What is the InChIKey of N-ethyl-3-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is ISBRMHUEPNXQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c1-2-14-8(15)6-3-4-13-5-7(6)9(10,11)12/h3-5H,2H2,1H3,(H,14,15).
What are the key properties of N-ethyl-3-(trifluoromethyl)pyridine-4-carboxamide?
N-ethyl-3-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 218.18 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 142421392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).