N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C18H15F3N2O2S — CID 86263998

IUPACN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(O)(CNC(=O)c1ccc(C(F)(F)F)nc1)c1cc2ccccc2s1
InChIInChI=1S/C18H15F3N2O2S/c1-17(25,15-8-11-4-2-3-5-13(11)26-15)10-23-16(24)12-6-7-14(22-9-12)18(19,20)21/h2-9,25H,10H2,1H3,(H,23,24)
InChIKeyKVGYJAUUIGREJA-UHFFFAOYSA-N
MW380.39 g/mol
LogP3.95
Rot. Bonds4

About N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 86263998) has the molecular formula C18H15F3N2O2S and a molecular weight of 380.39 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID86263998
Molecular FormulaC18H15F3N2O2S
Molecular Weight380.39 g/mol
Exact Mass380.08
IUPAC NameN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(O)(CNC(=O)c1ccc(C(F)(F)F)nc1)c1cc2ccccc2s1
InChIInChI=1S/C18H15F3N2O2S/c1-17(25,15-8-11-4-2-3-5-13(11)26-15)10-23-16(24)12-6-7-14(22-9-12)18(19,20)21/h2-9,25H,10H2,1H3,(H,23,24)
InChIKeyKVGYJAUUIGREJA-UHFFFAOYSA-N
XLogP3.95
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-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

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 86263998) is N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide is CC(O)(CNC(=O)c1ccc(C(F)(F)F)nc1)c1cc2ccccc2s1.
What is the InChIKey of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is KVGYJAUUIGREJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2S/c1-17(25,15-8-11-4-2-3-5-13(11)26-15)10-23-16(24)12-6-7-14(22-9-12)18(19,20)21/h2-9,25H,10H2,1H3,(H,23,24).
What are the key properties of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 380.39 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 86263998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).