6-[benzyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C21H18F3N3O — CID 109156314

IUPAC6-[benzyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCN(Cc1ccccc1)c1ccc(C(=O)Nc2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C21H18F3N3O/c1-27(14-15-7-3-2-4-8-15)19-12-11-16(13-25-19)20(28)26-18-10-6-5-9-17(18)21(22,23)24/h2-13H,14H2,1H3,(H,26,28)
InChIKeyRBEIVCGFGMNARU-UHFFFAOYSA-N
MW385.39 g/mol
LogP4.99
Rot. Bonds5

About 6-[benzyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide

6-[benzyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 109156314) has the molecular formula C21H18F3N3O and a molecular weight of 385.39 g/mol. Its IUPAC name is 6-[benzyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[benzyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID109156314
Molecular FormulaC21H18F3N3O
Molecular Weight385.39 g/mol
Exact Mass385.14
IUPAC Name6-[benzyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCN(Cc1ccccc1)c1ccc(C(=O)Nc2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C21H18F3N3O/c1-27(14-15-7-3-2-4-8-15)19-12-11-16(13-25-19)20(28)26-18-10-6-5-9-17(18)21(22,23)24/h2-13H,14H2,1H3,(H,26,28)
InChIKeyRBEIVCGFGMNARU-UHFFFAOYSA-N
XLogP4.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[benzyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]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

Related Compounds

6-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109155532
6-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109156325
6-[benzyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109156294
6-(methylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 62186448
6-[benzyl(methyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide
CID 109156302
6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 84580545
6-[benzyl(methyl)amino]-N-quinolin-3-ylpyridine-3-carboxamide
CID 10451671
6-anilino-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109162076
N-[2-[(dimethylamino)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 38436444
6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109161100
5-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109197685
4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 610570

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-[benzyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 109156314) is 6-[benzyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[benzyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[benzyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide is CN(Cc1ccccc1)c1ccc(C(=O)Nc2ccccc2C(F)(F)F)cn1.
What is the InChIKey of 6-[benzyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is RBEIVCGFGMNARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O/c1-27(14-15-7-3-2-4-8-15)19-12-11-16(13-25-19)20(28)26-18-10-6-5-9-17(18)21(22,23)24/h2-13H,14H2,1H3,(H,26,28).
What are the key properties of 6-[benzyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
6-[benzyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 385.39 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 109156314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).