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

C15H18N4O2 — CID 79352740

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

N-(2-hydroxy-1-phenylethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 79352740) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-(2-hydroxy-1-phenylethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
• PubChem CID: 79352740
• Molecular Formula: C15H18N4O2
• Molecular Weight: 286.33 g/mol
• Exact Mass: 286.14
• IUPAC Name: N-(2-hydroxy-1-phenylethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
• SMILES: O=C(NC(CO)c1ccccc1)C1Cc2nc[nH]c2CN1
• InChI: InChI=1S/C15H18N4O2/c20-8-14(10-4-2-1-3-5-10)19-15(21)12-6-11-13(7-16-12)18-9-17-11/h1-5,9,12,14,16,20H,6-8H2,(H,17,18)(H,19,21)
• InChIKey: RYVGSVSCUHGGEH-UHFFFAOYSA-N
• XLogP: 0.27
• TPSA: 90.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	286.33
LogP ≤ 5	0.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(2-hydroxy-1-phenylethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 79352740) is N-(2-hydroxy-1-phenylethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

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

The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is O=C(NC(CO)c1ccccc1)C1Cc2nc[nH]c2CN1.

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

The InChIKey is RYVGSVSCUHGGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-8-14(10-4-2-1-3-5-10)19-15(21)12-6-11-13(7-16-12)18-9-17-11/h1-5,9,12,14,16,20H,6-8H2,(H,17,18)(H,19,21).

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

N-(2-hydroxy-1-phenylethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 0.27, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxy-1-phenylethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 79352740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).