N-(2,3-dimethylphenyl)-6-methyl-4-(2-methylpropoxy)-2-(trifluoromethyl)pyridine-3-carboxamide

C20H23F3N2O2 — CID 57230580

IUPACN-(2,3-dimethylphenyl)-6-methyl-4-(2-methylpropoxy)-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cc(OCC(C)C)c(C(=O)Nc2cccc(C)c2C)c(C(F)(F)F)n1
InChIInChI=1S/C20H23F3N2O2/c1-11(2)10-27-16-9-13(4)24-18(20(21,22)23)17(16)19(26)25-15-8-6-7-12(3)14(15)5/h6-9,11H,10H2,1-5H3,(H,25,26)
InChIKeyMWWRHIYJSBKQGS-UHFFFAOYSA-N
MW380.41 g/mol
LogP5.31
Rot. Bonds5

About N-(2,3-dimethylphenyl)-6-methyl-4-(2-methylpropoxy)-2-(trifluoromethyl)pyridine-3-carboxamide

N-(2,3-dimethylphenyl)-6-methyl-4-(2-methylpropoxy)-2-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 57230580) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-6-methyl-4-(2-methylpropoxy)-2-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-6-methyl-4-(2-methylpropoxy)-2-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID57230580
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC NameN-(2,3-dimethylphenyl)-6-methyl-4-(2-methylpropoxy)-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cc(OCC(C)C)c(C(=O)Nc2cccc(C)c2C)c(C(F)(F)F)n1
InChIInChI=1S/C20H23F3N2O2/c1-11(2)10-27-16-9-13(4)24-18(20(21,22)23)17(16)19(26)25-15-8-6-7-12(3)14(15)5/h6-9,11H,10H2,1-5H3,(H,25,26)
InChIKeyMWWRHIYJSBKQGS-UHFFFAOYSA-N
XLogP5.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.41
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-ethyl-6-methyl-4-prop-2-enoxypyridine-3-carboxamide
CID 56979971
N-(2,6-diethylphenyl)-6-methyl-4-prop-2-enoxy-2-(trifluoromethyl)pyridine-3-carboxamide
CID 57220881
2-(2,3-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54815991
N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 14405584
N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 2102456
N-(2,3-dimethylphenyl)-3-(trifluoromethyl)benzamide
CID 850563
1,5-dimethyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 162597470
N-(2,3-dimethylphenyl)-5-methylpyrazine-2-carboxamide
CID 16613943
N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-4-(2-methylpropoxy)pyridine-3-carboxamide
CID 54478269
1-N-(2,3-dimethylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050570
N-(2,3-dimethylphenyl)-3,4,5-triethoxybenzamide
CID 1219709
4-chloro-N-(2,3-dimethylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267839

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-6-methyl-4-(2-methylpropoxy)-2-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-6-methyl-4-(2-methylpropoxy)-2-(trifluoromethyl)pyridine-3-carboxamide (CID 57230580) is N-(2,3-dimethylphenyl)-6-methyl-4-(2-methylpropoxy)-2-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-6-methyl-4-(2-methylpropoxy)-2-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-6-methyl-4-(2-methylpropoxy)-2-(trifluoromethyl)pyridine-3-carboxamide is Cc1cc(OCC(C)C)c(C(=O)Nc2cccc(C)c2C)c(C(F)(F)F)n1.
What is the InChIKey of N-(2,3-dimethylphenyl)-6-methyl-4-(2-methylpropoxy)-2-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is MWWRHIYJSBKQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c1-11(2)10-27-16-9-13(4)24-18(20(21,22)23)17(16)19(26)25-15-8-6-7-12(3)14(15)5/h6-9,11H,10H2,1-5H3,(H,25,26).
What are the key properties of N-(2,3-dimethylphenyl)-6-methyl-4-(2-methylpropoxy)-2-(trifluoromethyl)pyridine-3-carboxamide?
N-(2,3-dimethylphenyl)-6-methyl-4-(2-methylpropoxy)-2-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-6-methyl-4-(2-methylpropoxy)-2-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 57230580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).