6-acetyl-2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C10H13N3O2S — CID 25219685

IUPAC6-acetyl-2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(=O)N1CCc2c(sc(N)c2C(N)=O)C1
InChIInChI=1S/C10H13N3O2S/c1-5(14)13-3-2-6-7(4-13)16-10(12)8(6)9(11)15/h2-4,12H2,1H3,(H2,11,15)
InChIKeyHVAWXSNOFJTABL-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.33
Rot. Bonds1

About 6-acetyl-2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-acetyl-2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 25219685) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 6-acetyl-2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-acetyl-2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID25219685
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name6-acetyl-2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(=O)N1CCc2c(sc(N)c2C(N)=O)C1
InChIInChI=1S/C10H13N3O2S/c1-5(14)13-3-2-6-7(4-13)16-10(12)8(6)9(11)15/h2-4,12H2,1H3,(H2,11,15)
InChIKeyHVAWXSNOFJTABL-UHFFFAOYSA-N
XLogP0.33
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-acetyl-2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 25219685) is 6-acetyl-2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-acetyl-2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-acetyl-2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CC(=O)N1CCc2c(sc(N)c2C(N)=O)C1.
What is the InChIKey of 6-acetyl-2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is HVAWXSNOFJTABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-5(14)13-3-2-6-7(4-13)16-10(12)8(6)9(11)15/h2-4,12H2,1H3,(H2,11,15).
What are the key properties of 6-acetyl-2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-acetyl-2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 239.30 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 25219685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).