5-amino-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide

C15H13N3OS — CID 61094116

IUPAC5-amino-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
SMILESCc1cccnc1NC(=O)c1cc2cc(N)ccc2s1
InChIInChI=1S/C15H13N3OS/c1-9-3-2-6-17-14(9)18-15(19)13-8-10-7-11(16)4-5-12(10)20-13/h2-8H,16H2,1H3,(H,17,18,19)
InChIKeyYHPXTQYZQIFDBX-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.44
Rot. Bonds2

About 5-amino-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide

5-amino-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide (PubChem CID 61094116) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 5-amino-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
PubChem CID61094116
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name5-amino-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
SMILESCc1cccnc1NC(=O)c1cc2cc(N)ccc2s1
InChIInChI=1S/C15H13N3OS/c1-9-3-2-6-17-14(9)18-15(19)13-8-10-7-11(16)4-5-12(10)20-13/h2-8H,16H2,1H3,(H,17,18,19)
InChIKeyYHPXTQYZQIFDBX-UHFFFAOYSA-N
XLogP3.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-N-(3-methyl-2-pyridinyl)-1-benzothiophene-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 5-amino-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-amino-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide (CID 61094116) is 5-amino-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-amino-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-amino-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide is Cc1cccnc1NC(=O)c1cc2cc(N)ccc2s1.
What is the InChIKey of 5-amino-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The InChIKey is YHPXTQYZQIFDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-9-3-2-6-17-14(9)18-15(19)13-8-10-7-11(16)4-5-12(10)20-13/h2-8H,16H2,1H3,(H,17,18,19).
What are the key properties of 5-amino-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
5-amino-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide has a molecular weight of 283.36 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 61094116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).