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

C17H17F3N2O — CID 2727004

IUPACN-(2,6-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCN(C(=O)c1cnccc1C(F)(F)F)c1c(C)cccc1C
InChIInChI=1S/C17H17F3N2O/c1-4-22(15-11(2)6-5-7-12(15)3)16(23)13-10-21-9-8-14(13)17(18,19)20/h5-10H,4H2,1-3H3
InChIKeyNNLJLGCBYGIFLJ-UHFFFAOYSA-N
MW322.33 g/mol
LogP4.38
Rot. Bonds3

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

N-(2,6-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2727004) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2727004
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC NameN-(2,6-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCN(C(=O)c1cnccc1C(F)(F)F)c1c(C)cccc1C
InChIInChI=1S/C17H17F3N2O/c1-4-22(15-11(2)6-5-7-12(15)3)16(23)13-10-21-9-8-14(13)17(18,19)20/h5-10H,4H2,1-3H3
InChIKeyNNLJLGCBYGIFLJ-UHFFFAOYSA-N
XLogP4.38
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide (CID 2727004) is N-(2,6-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide is CCN(C(=O)c1cnccc1C(F)(F)F)c1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is NNLJLGCBYGIFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O/c1-4-22(15-11(2)6-5-7-12(15)3)16(23)13-10-21-9-8-14(13)17(18,19)20/h5-10H,4H2,1-3H3.
What are the key properties of N-(2,6-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide?
N-(2,6-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 322.33 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2727004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).