N-[(5-bromo-2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

C14H14BrFN4O — CID 79352477

About N-[(5-bromo-2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

N-[(5-bromo-2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 79352477) has the molecular formula C14H14BrFN4O and a molecular weight of 353.20 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(5-bromo-2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
• PubChem CID: 79352477
• Molecular Formula: C14H14BrFN4O
• Molecular Weight: 353.20 g/mol
• Exact Mass: 352.03
• IUPAC Name: N-[(5-bromo-2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
• SMILES: O=C(NCc1cc(Br)ccc1F)C1Cc2nc[nH]c2CN1
• InChI: InChI=1S/C14H14BrFN4O/c15-9-1-2-10(16)8(3-9)5-18-14(21)12-4-11-13(6-17-12)20-7-19-11/h1-3,7,12,17H,4-6H2,(H,18,21)(H,19,20)
• InChIKey: IHTJCYLYXYDLRQ-UHFFFAOYSA-N
• XLogP: 1.64
• 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	353.20
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 79352477) is N-[(5-bromo-2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

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

The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is O=C(NCc1cc(Br)ccc1F)C1Cc2nc[nH]c2CN1.

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

The InChIKey is IHTJCYLYXYDLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN4O/c15-9-1-2-10(16)8(3-9)5-18-14(21)12-4-11-13(6-17-12)20-7-19-11/h1-3,7,12,17H,4-6H2,(H,18,21)(H,19,20).

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

N-[(5-bromo-2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 353.20 g/mol, XLogP of 1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-bromo-2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 79352477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).