N-(2,6-diethylphenyl)-6-methyl-4-prop-2-enoxy-2-(trifluoromethyl)pyridine-3-carboxamide

C21H23F3N2O2 — CID 57220881

IUPACN-(2,6-diethylphenyl)-6-methyl-4-prop-2-enoxy-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESC=CCOc1cc(C)nc(C(F)(F)F)c1C(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C21H23F3N2O2/c1-5-11-28-16-12-13(4)25-19(21(22,23)24)17(16)20(27)26-18-14(6-2)9-8-10-15(18)7-3/h5,8-10,12H,1,6-7,11H2,2-4H3,(H,26,27)
InChIKeyJQMAMGGEIDOJCF-UHFFFAOYSA-N
MW392.42 g/mol
LogP5.35
Rot. Bonds7

About N-(2,6-diethylphenyl)-6-methyl-4-prop-2-enoxy-2-(trifluoromethyl)pyridine-3-carboxamide

N-(2,6-diethylphenyl)-6-methyl-4-prop-2-enoxy-2-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 57220881) has the molecular formula C21H23F3N2O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-6-methyl-4-prop-2-enoxy-2-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-6-methyl-4-prop-2-enoxy-2-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID57220881
Molecular FormulaC21H23F3N2O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC NameN-(2,6-diethylphenyl)-6-methyl-4-prop-2-enoxy-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESC=CCOc1cc(C)nc(C(F)(F)F)c1C(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C21H23F3N2O2/c1-5-11-28-16-12-13(4)25-19(21(22,23)24)17(16)20(27)26-18-14(6-2)9-8-10-15(18)7-3/h5,8-10,12H,1,6-7,11H2,2-4H3,(H,26,27)
InChIKeyJQMAMGGEIDOJCF-UHFFFAOYSA-N
XLogP5.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.42
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-diethylphenyl)-6-methyl-2-phenyl-4-prop-2-enoxypyridine-3-carboxamide
CID 57063054
N-(2,3-dimethylphenyl)-2-ethyl-6-methyl-4-prop-2-enoxypyridine-3-carboxamide
CID 56979971
N-(2,3-dimethylphenyl)-6-methyl-4-(2-methylpropoxy)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 57230580
N-(2,6-diethylphenyl)-5-methylpyrazine-2-carboxamide
CID 17441034
2,2,2-trifluoroethyl N-(2,6-diethylphenyl)carbamate
CID 39871495
4-butoxy-2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 57308371
N-(2-ethyl-6-methylphenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 20913742
4-cyclohexyl-N-(2,6-diethylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 14128595
N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-4-(2-methylpropoxy)pyridine-3-carboxamide
CID 54478269
2-methyl-4-prop-2-enoxyquinoline-6-carboxylic acid
CID 102536835
1,5-diethyl-2,4-bis(prop-2-enoxy)benzene
CID 158976326
N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173863

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-6-methyl-4-prop-2-enoxy-2-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-6-methyl-4-prop-2-enoxy-2-(trifluoromethyl)pyridine-3-carboxamide (CID 57220881) is N-(2,6-diethylphenyl)-6-methyl-4-prop-2-enoxy-2-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-6-methyl-4-prop-2-enoxy-2-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-6-methyl-4-prop-2-enoxy-2-(trifluoromethyl)pyridine-3-carboxamide is C=CCOc1cc(C)nc(C(F)(F)F)c1C(=O)Nc1c(CC)cccc1CC.
What is the InChIKey of N-(2,6-diethylphenyl)-6-methyl-4-prop-2-enoxy-2-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is JQMAMGGEIDOJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O2/c1-5-11-28-16-12-13(4)25-19(21(22,23)24)17(16)20(27)26-18-14(6-2)9-8-10-15(18)7-3/h5,8-10,12H,1,6-7,11H2,2-4H3,(H,26,27).
What are the key properties of N-(2,6-diethylphenyl)-6-methyl-4-prop-2-enoxy-2-(trifluoromethyl)pyridine-3-carboxamide?
N-(2,6-diethylphenyl)-6-methyl-4-prop-2-enoxy-2-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-6-methyl-4-prop-2-enoxy-2-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 57220881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).