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

C13H22N4O3 — CID 106254160

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

N-(2-hydroxy-4-methoxy-2-methylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 106254160) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(2-hydroxy-4-methoxy-2-methylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-(2-hydroxy-4-methoxy-2-methylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
• PubChem CID: 106254160
• Molecular Formula: C13H22N4O3
• Molecular Weight: 282.34 g/mol
• Exact Mass: 282.17
• IUPAC Name: N-(2-hydroxy-4-methoxy-2-methylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
• SMILES: COCCC(C)(O)CNC(=O)C1Cc2nc[nH]c2CN1
• InChI: InChI=1S/C13H22N4O3/c1-13(19,3-4-20-2)7-15-12(18)10-5-9-11(6-14-10)17-8-16-9/h8,10,14,19H,3-7H2,1-2H3,(H,15,18)(H,16,17)
• InChIKey: DHROWPJCUITMCB-UHFFFAOYSA-N
• XLogP: -0.67
• TPSA: 99.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	282.34
LogP ≤ 5	-0.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 106254160) is N-(2-hydroxy-4-methoxy-2-methylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

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

The canonical SMILES for N-(2-hydroxy-4-methoxy-2-methylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is COCCC(C)(O)CNC(=O)C1Cc2nc[nH]c2CN1.

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

The InChIKey is DHROWPJCUITMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-13(19,3-4-20-2)7-15-12(18)10-5-9-11(6-14-10)17-8-16-9/h8,10,14,19H,3-7H2,1-2H3,(H,15,18)(H,16,17).

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

N-(2-hydroxy-4-methoxy-2-methylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 282.34 g/mol, XLogP of -0.67, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxy-4-methoxy-2-methylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 106254160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).