N-[2-(dimethylamino)ethyl]-2-oxo-N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C16H18F3N3O2S — CID 46989720

IUPACN-[2-(dimethylamino)ethyl]-2-oxo-N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCN(C)CCN(Cc1ccsc1)C(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C16H18F3N3O2S/c1-21(2)6-7-22(9-11-5-8-25-10-11)15(24)12-3-4-13(16(17,18)19)20-14(12)23/h3-5,8,10H,6-7,9H2,1-2H3,(H,20,23)
InChIKeyYCIYGZGCRIJCNY-UHFFFAOYSA-N
MW373.40 g/mol
LogP2.66
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2-oxo-N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[2-(dimethylamino)ethyl]-2-oxo-N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 46989720) has the molecular formula C16H18F3N3O2S and a molecular weight of 373.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-oxo-N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-oxo-N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID46989720
Molecular FormulaC16H18F3N3O2S
Molecular Weight373.40 g/mol
Exact Mass373.11
IUPAC NameN-[2-(dimethylamino)ethyl]-2-oxo-N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCN(C)CCN(Cc1ccsc1)C(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C16H18F3N3O2S/c1-21(2)6-7-22(9-11-5-8-25-10-11)15(24)12-3-4-13(16(17,18)19)20-14(12)23/h3-5,8,10H,6-7,9H2,1-2H3,(H,20,23)
InChIKeyYCIYGZGCRIJCNY-UHFFFAOYSA-N
XLogP2.66
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(dimethylamino)ethyl]-2-oxo-N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)-1H-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-(dimethylamino)ethyl]-2-oxo-N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-oxo-N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 46989720) is N-[2-(dimethylamino)ethyl]-2-oxo-N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-oxo-N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-oxo-N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CN(C)CCN(Cc1ccsc1)C(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-oxo-N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is YCIYGZGCRIJCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2S/c1-21(2)6-7-22(9-11-5-8-25-10-11)15(24)12-3-4-13(16(17,18)19)20-14(12)23/h3-5,8,10H,6-7,9H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-oxo-N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-2-oxo-N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 373.40 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-oxo-N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 46989720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).