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

C15H17BrN4O — CID 79351969

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

N-[1-(2-bromophenyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 79351969) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[1-(2-bromophenyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
• PubChem CID: 79351969
• Molecular Formula: C15H17BrN4O
• Molecular Weight: 349.23 g/mol
• Exact Mass: 348.06
• IUPAC Name: N-[1-(2-bromophenyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
• SMILES: CC(NC(=O)C1Cc2nc[nH]c2CN1)c1ccccc1Br
• InChI: InChI=1S/C15H17BrN4O/c1-9(10-4-2-3-5-11(10)16)20-15(21)13-6-12-14(7-17-13)19-8-18-12/h2-5,8-9,13,17H,6-7H2,1H3,(H,18,19)(H,20,21)
• InChIKey: YLDPSQJQORVPFF-UHFFFAOYSA-N
• XLogP: 2.06
• TPSA: 69.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.23
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[1-(2-bromophenyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 79351969) is N-[1-(2-bromophenyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

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

The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is CC(NC(=O)C1Cc2nc[nH]c2CN1)c1ccccc1Br.

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

The InChIKey is YLDPSQJQORVPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-9(10-4-2-3-5-11(10)16)20-15(21)13-6-12-14(7-17-13)19-8-18-12/h2-5,8-9,13,17H,6-7H2,1H3,(H,18,19)(H,20,21).

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

N-[1-(2-bromophenyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-bromophenyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 79351969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).