N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide

C21H22N4O3 — CID 72915221

About N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide

N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 72915221) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide
• PubChem CID: 72915221
• Molecular Formula: C21H22N4O3
• Molecular Weight: 378.43 g/mol
• Exact Mass: 378.17
• IUPAC Name: N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide
• SMILES: Cc1cccc(-n2ncc3c2CCCC3NC(=O)c2c[nH]c(=O)cc2O)c1C
• InChI: InChI=1S/C21H22N4O3/c1-12-5-3-7-17(13(12)2)25-18-8-4-6-16(14(18)11-23-25)24-21(28)15-10-22-20(27)9-19(15)26/h3,5,7,9-11,16H,4,6,8H2,1-2H3,(H,24,28)(H2,22,26,27)
• InChIKey: AQACUTYUJKLHNR-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 100.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.43
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide?

The IUPAC name of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide (CID 72915221) is N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide.

What is the SMILES notation for N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide?

The canonical SMILES for N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide is Cc1cccc(-n2ncc3c2CCCC3NC(=O)c2c[nH]c(=O)cc2O)c1C.

What is the InChIKey of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide?

The InChIKey is AQACUTYUJKLHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-12-5-3-7-17(13(12)2)25-18-8-4-6-16(14(18)11-23-25)24-21(28)15-10-22-20(27)9-19(15)26/h3,5,7,9-11,16H,4,6,8H2,1-2H3,(H,24,28)(H2,22,26,27).

What are the key properties of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide?

N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.69, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 72915221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).