2-(2-hydroxy-1-phenylethoxy)-4-propan-2-yl-6-thiophen-2-ylpyridine-3-carbonitrile

C21H20N2O2S — CID 143568515

IUPAC2-(2-hydroxy-1-phenylethoxy)-4-propan-2-yl-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESCC(C)c1cc(-c2cccs2)nc(OC(CO)c2ccccc2)c1C#N
InChIInChI=1S/C21H20N2O2S/c1-14(2)16-11-18(20-9-6-10-26-20)23-21(17(16)12-22)25-19(13-24)15-7-4-3-5-8-15/h3-11,14,19,24H,13H2,1-2H3
InChIKeyKDKBHGBSDWRJRN-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.92
Rot. Bonds6

About 2-(2-hydroxy-1-phenylethoxy)-4-propan-2-yl-6-thiophen-2-ylpyridine-3-carbonitrile

2-(2-hydroxy-1-phenylethoxy)-4-propan-2-yl-6-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 143568515) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-(2-hydroxy-1-phenylethoxy)-4-propan-2-yl-6-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-hydroxy-1-phenylethoxy)-4-propan-2-yl-6-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID143568515
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name2-(2-hydroxy-1-phenylethoxy)-4-propan-2-yl-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESCC(C)c1cc(-c2cccs2)nc(OC(CO)c2ccccc2)c1C#N
InChIInChI=1S/C21H20N2O2S/c1-14(2)16-11-18(20-9-6-10-26-20)23-21(17(16)12-22)25-19(13-24)15-7-4-3-5-8-15/h3-11,14,19,24H,13H2,1-2H3
InChIKeyKDKBHGBSDWRJRN-UHFFFAOYSA-N
XLogP4.92
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-1-phenylethoxy)-4-propan-2-yl-6-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-(2-hydroxy-1-phenylethoxy)-4-propan-2-yl-6-thiophen-2-ylpyridine-3-carbonitrile (CID 143568515) is 2-(2-hydroxy-1-phenylethoxy)-4-propan-2-yl-6-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-hydroxy-1-phenylethoxy)-4-propan-2-yl-6-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2-hydroxy-1-phenylethoxy)-4-propan-2-yl-6-thiophen-2-ylpyridine-3-carbonitrile is CC(C)c1cc(-c2cccs2)nc(OC(CO)c2ccccc2)c1C#N.
What is the InChIKey of 2-(2-hydroxy-1-phenylethoxy)-4-propan-2-yl-6-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is KDKBHGBSDWRJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-14(2)16-11-18(20-9-6-10-26-20)23-21(17(16)12-22)25-19(13-24)15-7-4-3-5-8-15/h3-11,14,19,24H,13H2,1-2H3.
What are the key properties of 2-(2-hydroxy-1-phenylethoxy)-4-propan-2-yl-6-thiophen-2-ylpyridine-3-carbonitrile?
2-(2-hydroxy-1-phenylethoxy)-4-propan-2-yl-6-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 364.47 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-1-phenylethoxy)-4-propan-2-yl-6-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 143568515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).