6-(methoxymethyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)pyridine-2-carboxamide

C17H20N2O2S — CID 74231962

IUPAC6-(methoxymethyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)pyridine-2-carboxamide
SMILESCOCc1cccc(C(=O)NCc2csc3c2CCCC3)n1
InChIInChI=1S/C17H20N2O2S/c1-21-10-13-5-4-7-15(19-13)17(20)18-9-12-11-22-16-8-3-2-6-14(12)16/h4-5,7,11H,2-3,6,8-10H2,1H3,(H,18,20)
InChIKeyBVBMJUAIOZBSOJ-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.10
Rot. Bonds5

About 6-(methoxymethyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)pyridine-2-carboxamide

6-(methoxymethyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 74231962) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 6-(methoxymethyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(methoxymethyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)pyridine-2-carboxamide
PubChem CID74231962
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name6-(methoxymethyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)pyridine-2-carboxamide
SMILESCOCc1cccc(C(=O)NCc2csc3c2CCCC3)n1
InChIInChI=1S/C17H20N2O2S/c1-21-10-13-5-4-7-15(19-13)17(20)18-9-12-11-22-16-8-3-2-6-14(12)16/h4-5,7,11H,2-3,6,8-10H2,1H3,(H,18,20)
InChIKeyBVBMJUAIOZBSOJ-UHFFFAOYSA-N
XLogP3.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(methoxymethyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)pyridine-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 6-(methoxymethyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 6-(methoxymethyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)pyridine-2-carboxamide (CID 74231962) is 6-(methoxymethyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(methoxymethyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(methoxymethyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)pyridine-2-carboxamide is COCc1cccc(C(=O)NCc2csc3c2CCCC3)n1.
What is the InChIKey of 6-(methoxymethyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is BVBMJUAIOZBSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-21-10-13-5-4-7-15(19-13)17(20)18-9-12-11-22-16-8-3-2-6-14(12)16/h4-5,7,11H,2-3,6,8-10H2,1H3,(H,18,20).
What are the key properties of 6-(methoxymethyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)pyridine-2-carboxamide?
6-(methoxymethyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 74231962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).