4-[[2-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-methyl-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide

C20H18N4O3S — CID 142556488

IUPAC4-[[2-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-methyl-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCCc1nc(-c2sc3cc(Oc4ccnc(C(=O)NC)c4)ccc3c2C)no1
InChIInChI=1S/C20H18N4O3S/c1-4-17-23-19(24-27-17)18-11(2)14-6-5-12(10-16(14)28-18)26-13-7-8-22-15(9-13)20(25)21-3/h5-10H,4H2,1-3H3,(H,21,25)
InChIKeyHNYWOUBLAUCAII-UHFFFAOYSA-N
MW394.46 g/mol
LogP4.37
Rot. Bonds5

About 4-[[2-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-methyl-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide

4-[[2-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-methyl-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide (PubChem CID 142556488) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is 4-[[2-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-methyl-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-methyl-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide
PubChem CID142556488
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC Name4-[[2-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-methyl-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCCc1nc(-c2sc3cc(Oc4ccnc(C(=O)NC)c4)ccc3c2C)no1
InChIInChI=1S/C20H18N4O3S/c1-4-17-23-19(24-27-17)18-11(2)14-6-5-12(10-16(14)28-18)26-13-7-8-22-15(9-13)20(25)21-3/h5-10H,4H2,1-3H3,(H,21,25)
InChIKeyHNYWOUBLAUCAII-UHFFFAOYSA-N
XLogP4.37
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-methyl-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[2-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-methyl-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide (CID 142556488) is 4-[[2-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-methyl-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-methyl-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-methyl-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide is CCc1nc(-c2sc3cc(Oc4ccnc(C(=O)NC)c4)ccc3c2C)no1.
What is the InChIKey of 4-[[2-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-methyl-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide?
The InChIKey is HNYWOUBLAUCAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-4-17-23-19(24-27-17)18-11(2)14-6-5-12(10-16(14)28-18)26-13-7-8-22-15(9-13)20(25)21-3/h5-10H,4H2,1-3H3,(H,21,25).
What are the key properties of 4-[[2-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-methyl-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide?
4-[[2-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-methyl-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide has a molecular weight of 394.46 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-methyl-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 142556488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).