5-cyano-N-ethyl-6-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C17H14F3N3O — CID 100745968

IUPAC5-cyano-N-ethyl-6-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCCN(C(=O)c1ccc(C#N)c(C)n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14F3N3O/c1-3-23(14-7-5-13(6-8-14)17(18,19)20)16(24)15-9-4-12(10-21)11(2)22-15/h4-9H,3H2,1-2H3
InChIKeyWUBZFISLTYCKOX-UHFFFAOYSA-N
MW333.31 g/mol
LogP3.95
Rot. Bonds3

About 5-cyano-N-ethyl-6-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide

5-cyano-N-ethyl-6-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 100745968) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is 5-cyano-N-ethyl-6-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-ethyl-6-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID100745968
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC Name5-cyano-N-ethyl-6-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCCN(C(=O)c1ccc(C#N)c(C)n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14F3N3O/c1-3-23(14-7-5-13(6-8-14)17(18,19)20)16(24)15-9-4-12(10-21)11(2)22-15/h4-9H,3H2,1-2H3
InChIKeyWUBZFISLTYCKOX-UHFFFAOYSA-N
XLogP3.95
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-cyano-6-methylpyridine-2-carbonyl)-ethylamino]butanoic acid
CID 62822089
2-[butan-2-yl-(5-cyano-6-methylpyridine-2-carbonyl)amino]acetic acid
CID 60829216
N-ethyl-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 176738854
N-ethyl-N-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84553366
ethyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)-propylamino]acetate
CID 61007860
5-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyridine-2-carboxamide
CID 103843212
N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-5-cyano-6-methylpyridine-2-carboxamide
CID 55608304
5-cyano-N-(1-hydroxy-3-methylpentan-3-yl)-6-methylpyridine-2-carboxamide
CID 103946065
6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-2-carboxamide
CID 103889658
2-[[2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43465318
N-(2-cyanoethyl)-N-ethyl-4-(trifluoromethyl)benzamide
CID 54992475
ethyl 2-cyano-5-(trifluoromethyl)benzoate
CID 134643261

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-ethyl-6-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-ethyl-6-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 100745968) is 5-cyano-N-ethyl-6-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-ethyl-6-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-ethyl-6-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is CCN(C(=O)c1ccc(C#N)c(C)n1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-cyano-N-ethyl-6-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is WUBZFISLTYCKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O/c1-3-23(14-7-5-13(6-8-14)17(18,19)20)16(24)15-9-4-12(10-21)11(2)22-15/h4-9H,3H2,1-2H3.
What are the key properties of 5-cyano-N-ethyl-6-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
5-cyano-N-ethyl-6-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 333.31 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-ethyl-6-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 100745968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).