N-[(2,6-dimethoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridine-3-carboxamide

C19H18F6N2O4 — CID 2727323

IUPACN-[(2,6-dimethoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cccc(OC)c1CN(C)C(=O)c1cnc(OCC(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C19H18F6N2O4/c1-27(9-12-14(29-2)5-4-6-15(12)30-3)17(28)11-8-26-16(31-10-18(20,21)22)7-13(11)19(23,24)25/h4-8H,9-10H2,1-3H3
InChIKeyTTYWYHATGAEKFJ-UHFFFAOYSA-N
MW452.35 g/mol
LogP4.33
Rot. Bonds7

About N-[(2,6-dimethoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridine-3-carboxamide

N-[(2,6-dimethoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2727323) has the molecular formula C19H18F6N2O4 and a molecular weight of 452.35 g/mol. Its IUPAC name is N-[(2,6-dimethoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,6-dimethoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2727323
Molecular FormulaC19H18F6N2O4
Molecular Weight452.35 g/mol
Exact Mass452.12
IUPAC NameN-[(2,6-dimethoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cccc(OC)c1CN(C)C(=O)c1cnc(OCC(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C19H18F6N2O4/c1-27(9-12-14(29-2)5-4-6-15(12)30-3)17(28)11-8-26-16(31-10-18(20,21)22)7-13(11)19(23,24)25/h4-8H,9-10H2,1-3H3
InChIKeyTTYWYHATGAEKFJ-UHFFFAOYSA-N
XLogP4.33
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.35
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(2,6-dimethoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridine-3-carboxamide (CID 2727323) is N-[(2,6-dimethoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2,6-dimethoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2,6-dimethoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridine-3-carboxamide is COc1cccc(OC)c1CN(C)C(=O)c1cnc(OCC(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of N-[(2,6-dimethoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is TTYWYHATGAEKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F6N2O4/c1-27(9-12-14(29-2)5-4-6-15(12)30-3)17(28)11-8-26-16(31-10-18(20,21)22)7-13(11)19(23,24)25/h4-8H,9-10H2,1-3H3.
What are the key properties of N-[(2,6-dimethoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[(2,6-dimethoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 452.35 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2727323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).