N-(1-thiophen-2-ylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

C15H20N4OS — CID 79352576

About N-(1-thiophen-2-ylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

N-(1-thiophen-2-ylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 79352576) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(1-thiophen-2-ylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-(1-thiophen-2-ylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
• PubChem CID: 79352576
• Molecular Formula: C15H20N4OS
• Molecular Weight: 304.42 g/mol
• Exact Mass: 304.14
• IUPAC Name: N-(1-thiophen-2-ylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
• SMILES: CCCC(NC(=O)C1Cc2nc[nH]c2CN1)c1cccs1
• InChI: InChI=1S/C15H20N4OS/c1-2-4-10(14-5-3-6-21-14)19-15(20)12-7-11-13(8-16-12)18-9-17-11/h3,5-6,9-10,12,16H,2,4,7-8H2,1H3,(H,17,18)(H,19,20)
• InChIKey: GHJRIMLNKIDFEX-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 69.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.42
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?

The IUPAC name of N-(1-thiophen-2-ylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 79352576) is N-(1-thiophen-2-ylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

What is the SMILES notation for N-(1-thiophen-2-ylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?

The canonical SMILES for N-(1-thiophen-2-ylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is CCCC(NC(=O)C1Cc2nc[nH]c2CN1)c1cccs1.

What is the InChIKey of N-(1-thiophen-2-ylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?

The InChIKey is GHJRIMLNKIDFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-2-4-10(14-5-3-6-21-14)19-15(20)12-7-11-13(8-16-12)18-9-17-11/h3,5-6,9-10,12,16H,2,4,7-8H2,1H3,(H,17,18)(H,19,20).

What are the key properties of N-(1-thiophen-2-ylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?

N-(1-thiophen-2-ylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-thiophen-2-ylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 79352576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).