N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(diethylamino)pyridine-3-carboxamide

C17H17ClF3N3O — CID 109160729

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-6-(diethylamino)pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cn1
InChIInChI=1S/C17H17ClF3N3O/c1-3-24(4-2)15-8-5-11(10-22-15)16(25)23-14-7-6-12(18)9-13(14)17(19,20)21/h5-10H,3-4H2,1-2H3,(H,23,25)
InChIKeyVENDACAPWWNIDH-UHFFFAOYSA-N
MW371.79 g/mol
LogP4.85
Rot. Bonds5

About N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(diethylamino)pyridine-3-carboxamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(diethylamino)pyridine-3-carboxamide (PubChem CID 109160729) has the molecular formula C17H17ClF3N3O and a molecular weight of 371.79 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(diethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-6-(diethylamino)pyridine-3-carboxamide
PubChem CID109160729
Molecular FormulaC17H17ClF3N3O
Molecular Weight371.79 g/mol
Exact Mass371.10
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-6-(diethylamino)pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cn1
InChIInChI=1S/C17H17ClF3N3O/c1-3-24(4-2)15-8-5-11(10-22-15)16(25)23-14-7-6-12(18)9-13(14)17(19,20)21/h5-10H,3-4H2,1-2H3,(H,23,25)
InChIKeyVENDACAPWWNIDH-UHFFFAOYSA-N
XLogP4.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.79
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(diethylamino)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-[4-chloro-2-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-2-carboxamide
CID 109194819
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 109153836
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyridine-3-carboxamide
CID 109161212
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 836769
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(cyclopropylamino)pyridine-3-carboxamide
CID 109151376
4-butoxy-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 4512796
1-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-N,3-N-diethylbenzene-1,3-dicarboxamide
CID 109055915
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152592
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
3-N-butyl-5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109102080
3-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea
CID 113229852
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253975

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(diethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(diethylamino)pyridine-3-carboxamide (CID 109160729) is N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(diethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(diethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(diethylamino)pyridine-3-carboxamide is CCN(CC)c1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cn1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(diethylamino)pyridine-3-carboxamide?
The InChIKey is VENDACAPWWNIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O/c1-3-24(4-2)15-8-5-11(10-22-15)16(25)23-14-7-6-12(18)9-13(14)17(19,20)21/h5-10H,3-4H2,1-2H3,(H,23,25).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(diethylamino)pyridine-3-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(diethylamino)pyridine-3-carboxamide has a molecular weight of 371.79 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(diethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109160729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).