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

C16H15F3N2O — CID 2727003

IUPACN-(2,6-dimethylphenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cccc(C)c1N(C)C(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C16H15F3N2O/c1-10-5-4-6-11(2)14(10)21(3)15(22)12-9-20-8-7-13(12)16(17,18)19/h4-9H,1-3H3
InChIKeyOQPHZBPIULULBC-UHFFFAOYSA-N
MW308.30 g/mol
LogP3.99
Rot. Bonds2

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

N-(2,6-dimethylphenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2727003) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2727003
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC NameN-(2,6-dimethylphenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cccc(C)c1N(C)C(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C16H15F3N2O/c1-10-5-4-6-11(2)14(10)21(3)15(22)12-9-20-8-7-13(12)16(17,18)19/h4-9H,1-3H3
InChIKeyOQPHZBPIULULBC-UHFFFAOYSA-N
XLogP3.99
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 53.99
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-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide (CID 2727003) is N-(2,6-dimethylphenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide is Cc1cccc(C)c1N(C)C(=O)c1cnccc1C(F)(F)F.
What is the InChIKey of N-(2,6-dimethylphenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is OQPHZBPIULULBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O/c1-10-5-4-6-11(2)14(10)21(3)15(22)12-9-20-8-7-13(12)16(17,18)19/h4-9H,1-3H3.
What are the key properties of N-(2,6-dimethylphenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
N-(2,6-dimethylphenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 308.30 g/mol, XLogP of 3.99, 2 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-methyl-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2727003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).