N-(2-amino-2-oxoethyl)-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-4-yl]pyridine-4-carboxamide

C24H18F3N3O2S — CID 59193864

IUPACN-(2-amino-2-oxoethyl)-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-4-yl]pyridine-4-carboxamide
SMILESNC(=O)CNC(=O)c1ccnc(-c2cccc3sc(Cc4cccc(C(F)(F)F)c4)cc23)c1
InChIInChI=1S/C24H18F3N3O2S/c25-24(26,27)16-4-1-3-14(9-16)10-17-12-19-18(5-2-6-21(19)33-17)20-11-15(7-8-29-20)23(32)30-13-22(28)31/h1-9,11-12H,10,13H2,(H2,28,31)(H,30,32)
InChIKeyWKQNBBBXOYMHBD-UHFFFAOYSA-N
MW469.49 g/mol
LogP4.79
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-4-yl]pyridine-4-carboxamide

N-(2-amino-2-oxoethyl)-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-4-yl]pyridine-4-carboxamide (PubChem CID 59193864) has the molecular formula C24H18F3N3O2S and a molecular weight of 469.49 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-4-yl]pyridine-4-carboxamide
PubChem CID59193864
Molecular FormulaC24H18F3N3O2S
Molecular Weight469.49 g/mol
Exact Mass469.11
IUPAC NameN-(2-amino-2-oxoethyl)-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-4-yl]pyridine-4-carboxamide
SMILESNC(=O)CNC(=O)c1ccnc(-c2cccc3sc(Cc4cccc(C(F)(F)F)c4)cc23)c1
InChIInChI=1S/C24H18F3N3O2S/c25-24(26,27)16-4-1-3-14(9-16)10-17-12-19-18(5-2-6-21(19)33-17)20-11-15(7-8-29-20)23(32)30-13-22(28)31/h1-9,11-12H,10,13H2,(H2,28,31)(H,30,32)
InChIKeyWKQNBBBXOYMHBD-UHFFFAOYSA-N
XLogP4.79
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-2-oxoethyl)-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-4-yl]pyridine-4-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-amino-2-oxoethyl)-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-4-yl]pyridine-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-4-yl]pyridine-4-carboxamide (CID 59193864) is N-(2-amino-2-oxoethyl)-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-4-yl]pyridine-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-4-yl]pyridine-4-carboxamide is NC(=O)CNC(=O)c1ccnc(-c2cccc3sc(Cc4cccc(C(F)(F)F)c4)cc23)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-4-yl]pyridine-4-carboxamide?
The InChIKey is WKQNBBBXOYMHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O2S/c25-24(26,27)16-4-1-3-14(9-16)10-17-12-19-18(5-2-6-21(19)33-17)20-11-15(7-8-29-20)23(32)30-13-22(28)31/h1-9,11-12H,10,13H2,(H2,28,31)(H,30,32).
What are the key properties of N-(2-amino-2-oxoethyl)-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-4-yl]pyridine-4-carboxamide?
N-(2-amino-2-oxoethyl)-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-4-yl]pyridine-4-carboxamide has a molecular weight of 469.49 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 59193864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).