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

C15H17FN4O — CID 81374493

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

N-[(1R)-1-(2-fluorophenyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 81374493) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is N-[(1R)-1-(2-fluorophenyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-(2-fluorophenyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
• PubChem CID: 81374493
• Molecular Formula: C15H17FN4O
• Molecular Weight: 288.33 g/mol
• Exact Mass: 288.14
• IUPAC Name: N-[(1R)-1-(2-fluorophenyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
• SMILES: C[C@@H](NC(=O)C1Cc2nc[nH]c2CN1)c1ccccc1F
• InChI: InChI=1S/C15H17FN4O/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)/t9-,13?/m1/s1
• InChIKey: PTZQVASYPDONIQ-CGCSKFHYSA-N
• XLogP: 1.44
• 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	288.33
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[(1R)-1-(2-fluorophenyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 81374493) is N-[(1R)-1-(2-fluorophenyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

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

The canonical SMILES for N-[(1R)-1-(2-fluorophenyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is C[C@@H](NC(=O)C1Cc2nc[nH]c2CN1)c1ccccc1F.

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

The InChIKey is PTZQVASYPDONIQ-CGCSKFHYSA-N. The full InChI is InChI=1S/C15H17FN4O/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)/t9-,13?/m1/s1.

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

N-[(1R)-1-(2-fluorophenyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(2-fluorophenyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 81374493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).