3-amino-7-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide

C16H15N3OS — CID 107112787

IUPAC3-amino-7-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESCc1cccc2c(N)c(C(=O)NCc3ccccn3)sc12
InChIInChI=1S/C16H15N3OS/c1-10-5-4-7-12-13(17)15(21-14(10)12)16(20)19-9-11-6-2-3-8-18-11/h2-8H,9,17H2,1H3,(H,19,20)
InChIKeyFEXFGWHINFHXEL-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.12
Rot. Bonds3

About 3-amino-7-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide

3-amino-7-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide (PubChem CID 107112787) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 3-amino-7-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-7-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide
PubChem CID107112787
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name3-amino-7-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESCc1cccc2c(N)c(C(=O)NCc3ccccn3)sc12
InChIInChI=1S/C16H15N3OS/c1-10-5-4-7-12-13(17)15(21-14(10)12)16(20)19-9-11-6-2-3-8-18-11/h2-8H,9,17H2,1H3,(H,19,20)
InChIKeyFEXFGWHINFHXEL-UHFFFAOYSA-N
XLogP3.12
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-7-methyl-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107112811
3-amino-7-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-benzothiophene-2-carboxamide
CID 107113057
3-amino-7-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 107112989
2-amino-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 16787973
3-amino-7-methyl-N-[(5-methylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 107113004
3-amino-N,7-dimethyl-1-benzothiophene-2-carboxamide
CID 107112750
3-amino-7-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide
CID 106383773
3-amino-7-methyl-N-[2-(methylsulfamoyl)ethyl]-1-benzothiophene-2-carboxamide
CID 106342964
3-amino-N-(5-hydroxypentyl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107323888
3-amino-7-methyl-N-(3-methylsulfonylpropyl)-1-benzothiophene-2-carboxamide
CID 107112968
3-amino-7-methyl-N-(2-methylsulfanylpropyl)-1-benzothiophene-2-carboxamide
CID 107113570
3-amino-N-(cyclohexylmethyl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107112840

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-7-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide (CID 107112787) is 3-amino-7-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-7-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-7-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide is Cc1cccc2c(N)c(C(=O)NCc3ccccn3)sc12.
What is the InChIKey of 3-amino-7-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is FEXFGWHINFHXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-10-5-4-7-12-13(17)15(21-14(10)12)16(20)19-9-11-6-2-3-8-18-11/h2-8H,9,17H2,1H3,(H,19,20).
What are the key properties of 3-amino-7-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide?
3-amino-7-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107112787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).