N-[(3-fluorophenyl)methyl]-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide

C16H14F4N2O — CID 78852267

IUPACN-[(3-fluorophenyl)methyl]-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C16H14F4N2O/c1-10-13(6-7-14(21-10)16(18,19)20)15(23)22(2)9-11-4-3-5-12(17)8-11/h3-8H,9H2,1-2H3
InChIKeyYEUYCFCXXNVJJM-UHFFFAOYSA-N
MW326.29 g/mol
LogP3.82
Rot. Bonds3

About N-[(3-fluorophenyl)methyl]-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-[(3-fluorophenyl)methyl]-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 78852267) has the molecular formula C16H14F4N2O and a molecular weight of 326.29 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID78852267
Molecular FormulaC16H14F4N2O
Molecular Weight326.29 g/mol
Exact Mass326.10
IUPAC NameN-[(3-fluorophenyl)methyl]-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C16H14F4N2O/c1-10-13(6-7-14(21-10)16(18,19)20)15(23)22(2)9-11-4-3-5-12(17)8-11/h3-8H,9H2,1-2H3
InChIKeyYEUYCFCXXNVJJM-UHFFFAOYSA-N
XLogP3.82
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.29
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(3-fluorophenyl)methyl]-N,2-dimethyl-6-(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

Related Compounds

N,2-dimethyl-N-[2-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 112843308
4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 115745141
2-fluoro-N-[(3-fluorophenyl)methyl]-N,4-dimethylbenzamide
CID 79770083
N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18113904
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 24546886
2,3-difluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 105380305
5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60674642
N-[(3-fluorophenyl)methyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 17458660
6-chloro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62235425
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 61376480
5-(ethylsulfamoyl)-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 27827677

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 78852267) is N-[(3-fluorophenyl)methyl]-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is YEUYCFCXXNVJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N2O/c1-10-13(6-7-14(21-10)16(18,19)20)15(23)22(2)9-11-4-3-5-12(17)8-11/h3-8H,9H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 326.29 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 78852267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).