3-amino-N-(3-propoxypropyl)thieno[2,3-c]pyridine-2-carboxamide

C₁₄H₁₉N₃O₂S — CID 82947525

About 3-amino-N-(3-propoxypropyl)thieno[2,3-c]pyridine-2-carboxamide

3-amino-N-(3-propoxypropyl)thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 82947525) has the molecular formula C₁₄H₁₉N₃O₂S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-amino-N-(3-propoxypropyl)thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-(3-propoxypropyl)thieno[2,3-c]pyridine-2-carboxamide
• PubChem CID: 82947525
• Molecular Formula: C₁₄H₁₉N₃O₂S
• Molecular Weight: 293.39 g/mol
• Exact Mass: 293.12
• IUPAC Name: 3-amino-N-(3-propoxypropyl)thieno[2,3-c]pyridine-2-carboxamide
• SMILES: CCCOCCCNC(=O)c1sc2cnccc2c1N
• InChI: InChI=1S/C14H19N3O2S/c1-2-7-19-8-3-5-17-14(18)13-12(15)10-4-6-16-9-11(10)20-13/h4,6,9H,2-3,5,7-8,15H2,1H3,(H,17,18)
• InChIKey: MNGZPJOEMUWEAZ-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 77.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.39
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-propoxypropyl)thieno[2,3-c]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-(3-propoxypropyl)thieno[2,3-c]pyridine-2-carboxamide (CID 82947525) is 3-amino-N-(3-propoxypropyl)thieno[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-(3-propoxypropyl)thieno[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-(3-propoxypropyl)thieno[2,3-c]pyridine-2-carboxamide is CCCOCCCNC(=O)c1sc2cnccc2c1N.

What is the InChIKey of 3-amino-N-(3-propoxypropyl)thieno[2,3-c]pyridine-2-carboxamide?

The InChIKey is MNGZPJOEMUWEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-2-7-19-8-3-5-17-14(18)13-12(15)10-4-6-16-9-11(10)20-13/h4,6,9H,2-3,5,7-8,15H2,1H3,(H,17,18).

What are the key properties of 3-amino-N-(3-propoxypropyl)thieno[2,3-c]pyridine-2-carboxamide?

3-amino-N-(3-propoxypropyl)thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-(3-propoxypropyl)thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 82947525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 82947525 — identifiers, structure, computed properties (public domain)

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