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

C17H13F3N2O2S — CID 91630873

IUPACN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCC(O)c1csc2ccccc12)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H13F3N2O2S/c18-17(19,20)15-6-5-10(7-21-15)16(24)22-8-13(23)12-9-25-14-4-2-1-3-11(12)14/h1-7,9,13,23H,8H2,(H,22,24)
InChIKeyCLWPRUHSSOGZBX-UHFFFAOYSA-N
MW366.36 g/mol
LogP3.78
Rot. Bonds4

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

N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 91630873) has the molecular formula C17H13F3N2O2S and a molecular weight of 366.36 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID91630873
Molecular FormulaC17H13F3N2O2S
Molecular Weight366.36 g/mol
Exact Mass366.06
IUPAC NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCC(O)c1csc2ccccc12)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H13F3N2O2S/c18-17(19,20)15-6-5-10(7-21-15)16(24)22-8-13(23)12-9-25-14-4-2-1-3-11(12)14/h1-7,9,13,23H,8H2,(H,22,24)
InChIKeyCLWPRUHSSOGZBX-UHFFFAOYSA-N
XLogP3.78
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 91630873) is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-6-(trifluoromethyl)pyridine-3-carboxamide is O=C(NCC(O)c1csc2ccccc12)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is CLWPRUHSSOGZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2S/c18-17(19,20)15-6-5-10(7-21-15)16(24)22-8-13(23)12-9-25-14-4-2-1-3-11(12)14/h1-7,9,13,23H,8H2,(H,22,24).
What are the key properties of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 366.36 g/mol, XLogP of 3.78, 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-3-yl)-2-hydroxyethyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 91630873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).