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

C21H18N4O3S — CID 138549842

IUPAC4-[[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(C)c(-c4noc(C5CC5)n4)sc3c2)ccn1
InChIInChI=1S/C21H18N4O3S/c1-11-15-6-5-13(27-14-7-8-23-16(9-14)20(26)22-2)10-17(15)29-18(11)19-24-21(28-25-19)12-3-4-12/h5-10,12H,3-4H2,1-2H3,(H,22,26)
InChIKeyNLSYXUDAPKMPHM-UHFFFAOYSA-N
MW406.47 g/mol
LogP4.68
Rot. Bonds5

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

4-[[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide (PubChem CID 138549842) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is 4-[[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide
PubChem CID138549842
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC Name4-[[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(C)c(-c4noc(C5CC5)n4)sc3c2)ccn1
InChIInChI=1S/C21H18N4O3S/c1-11-15-6-5-13(27-14-7-8-23-16(9-14)20(26)22-2)10-17(15)29-18(11)19-24-21(28-25-19)12-3-4-12/h5-10,12H,3-4H2,1-2H3,(H,22,26)
InChIKeyNLSYXUDAPKMPHM-UHFFFAOYSA-N
XLogP4.68
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-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 4-[[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide (CID 138549842) is 4-[[2-(5-cyclopropyl-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-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3c(C)c(-c4noc(C5CC5)n4)sc3c2)ccn1.
What is the InChIKey of 4-[[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide?
The InChIKey is NLSYXUDAPKMPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-11-15-6-5-13(27-14-7-8-23-16(9-14)20(26)22-2)10-17(15)29-18(11)19-24-21(28-25-19)12-3-4-12/h5-10,12H,3-4H2,1-2H3,(H,22,26).
What are the key properties of 4-[[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide?
4-[[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide has a molecular weight of 406.47 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 138549842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).