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

C16H16F3N3O — CID 38436444

IUPACN-[2-[(dimethylamino)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCN(C)Cc1ccccc1NC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H16F3N3O/c1-22(2)10-12-5-3-4-6-13(12)21-15(23)11-7-8-14(20-9-11)16(17,18)19/h3-9H,10H2,1-2H3,(H,21,23)
InChIKeyZVCGOUWDQTXGSX-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.41
Rot. Bonds4

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

N-[2-[(dimethylamino)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 38436444) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID38436444
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC NameN-[2-[(dimethylamino)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCN(C)Cc1ccccc1NC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H16F3N3O/c1-22(2)10-12-5-3-4-6-13(12)21-15(23)11-7-8-14(20-9-11)16(17,18)19/h3-9H,10H2,1-2H3,(H,21,23)
InChIKeyZVCGOUWDQTXGSX-UHFFFAOYSA-N
XLogP3.41
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[(dimethylamino)methyl]phenyl]-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

6-bromo-N-[2-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 66464873
N-[2-[(dimethylamino)methyl]phenyl]-3-fluoro-4-methylbenzamide
CID 31969058
N-(2-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33171812
6-[benzyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109156314
2-N,6-N-bis[2-[(dimethylamino)methyl]phenyl]pyridine-2,6-dicarboxamide
CID 38435626
N-[2-[(dimethylamino)methyl]phenyl]-3-hydroxybenzamide
CID 110472375
N-(4-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86926666
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122319457
6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
CID 175168012
N-(2,4-difluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33164256
N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane
CID 142252989
3-amino-4-bromo-N-[2-[(dimethylamino)methyl]phenyl]benzamide
CID 107812862

Frequently Asked Questions

What is the IUPAC name of N-[2-[(dimethylamino)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-[(dimethylamino)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 38436444) is N-[2-[(dimethylamino)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(dimethylamino)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is CN(C)Cc1ccccc1NC(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[2-[(dimethylamino)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is ZVCGOUWDQTXGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c1-22(2)10-12-5-3-4-6-13(12)21-15(23)11-7-8-14(20-9-11)16(17,18)19/h3-9H,10H2,1-2H3,(H,21,23).
What are the key properties of N-[2-[(dimethylamino)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[2-[(dimethylamino)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 323.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(dimethylamino)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 38436444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).