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

C18H19F3N2O — CID 2727017

IUPACN-(2,6-diethylphenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCc1cccc(CC)c1N(C)C(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C18H19F3N2O/c1-4-12-7-6-8-13(5-2)16(12)23(3)17(24)14-11-22-10-9-15(14)18(19,20)21/h6-11H,4-5H2,1-3H3
InChIKeyMYUVSKVQNOUKGB-UHFFFAOYSA-N
MW336.36 g/mol
LogP4.50
Rot. Bonds4

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

N-(2,6-diethylphenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2727017) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2727017
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC NameN-(2,6-diethylphenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCc1cccc(CC)c1N(C)C(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C18H19F3N2O/c1-4-12-7-6-8-13(5-2)16(12)23(3)17(24)14-11-22-10-9-15(14)18(19,20)21/h6-11H,4-5H2,1-3H3
InChIKeyMYUVSKVQNOUKGB-UHFFFAOYSA-N
XLogP4.50
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(4-ethyl-1,2-benzothiazol-3-yl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 66663141
N-(2-chloro-6-methylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2727007
bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
N,N'-bis(pyrimidin-2-ylmethyl)-N,N'-bis[4-(trifluoromethyl)pyridine-3-carbonyl]oxamide
CID 162568031
ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 142909767
2-(2-fluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707559
2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102709433
N-[4-(difluoromethoxy)-1,2-benzothiazol-3-yl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 59141852
N-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2726855
N,N-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethenamine
CID 146641164
(2,6-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707666
2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102709315

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide (CID 2727017) is N-(2,6-diethylphenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide is CCc1cccc(CC)c1N(C)C(=O)c1cnccc1C(F)(F)F.
What is the InChIKey of N-(2,6-diethylphenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is MYUVSKVQNOUKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c1-4-12-7-6-8-13(5-2)16(12)23(3)17(24)14-11-22-10-9-15(14)18(19,20)21/h6-11H,4-5H2,1-3H3.
What are the key properties of N-(2,6-diethylphenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
N-(2,6-diethylphenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 336.36 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2727017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).