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

C14H16N4O3 — CID 79351989

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

N-(3-hydroxy-4-methoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 79351989) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-(3-hydroxy-4-methoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
• PubChem CID: 79351989
• Molecular Formula: C14H16N4O3
• Molecular Weight: 288.31 g/mol
• Exact Mass: 288.12
• IUPAC Name: N-(3-hydroxy-4-methoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
• SMILES: COc1ccc(NC(=O)C2Cc3nc[nH]c3CN2)cc1O
• InChI: InChI=1S/C14H16N4O3/c1-21-13-3-2-8(4-12(13)19)18-14(20)10-5-9-11(6-15-10)17-7-16-9/h2-4,7,10,15,19H,5-6H2,1H3,(H,16,17)(H,18,20)
• InChIKey: MMQGRBMGMVNHCI-UHFFFAOYSA-N
• XLogP: 0.78
• TPSA: 99.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	288.31
LogP ≤ 5	0.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(3-hydroxy-4-methoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 79351989) is N-(3-hydroxy-4-methoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

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

The canonical SMILES for N-(3-hydroxy-4-methoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is COc1ccc(NC(=O)C2Cc3nc[nH]c3CN2)cc1O.

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

The InChIKey is MMQGRBMGMVNHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-21-13-3-2-8(4-12(13)19)18-14(20)10-5-9-11(6-15-10)17-7-16-9/h2-4,7,10,15,19H,5-6H2,1H3,(H,16,17)(H,18,20).

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

N-(3-hydroxy-4-methoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 0.78, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-hydroxy-4-methoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 79351989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).