N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-3-ylacetamide

C22H24N4O — CID 45206380

About N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-3-ylacetamide

N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-3-ylacetamide (PubChem CID 45206380) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-3-ylacetamide.

Molecular Properties

• Compound Name: N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-3-ylacetamide
• PubChem CID: 45206380
• Molecular Formula: C22H24N4O
• Molecular Weight: 360.46 g/mol
• Exact Mass: 360.20
• IUPAC Name: N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-3-ylacetamide
• SMILES: Cc1cc(C)cc(-n2ncc3c2CCCC3NC(=O)Cc2cccnc2)c1
• InChI: InChI=1S/C22H24N4O/c1-15-9-16(2)11-18(10-15)26-21-7-3-6-20(19(21)14-24-26)25-22(27)12-17-5-4-8-23-13-17/h4-5,8-11,13-14,20H,3,6-7,12H2,1-2H3,(H,25,27)
• InChIKey: YNYAJGOKVSGBNM-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.46
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-3-ylacetamide?

The IUPAC name of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-3-ylacetamide (CID 45206380) is N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-3-ylacetamide.

What is the SMILES notation for N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-3-ylacetamide?

The canonical SMILES for N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-3-ylacetamide is Cc1cc(C)cc(-n2ncc3c2CCCC3NC(=O)Cc2cccnc2)c1.

What is the InChIKey of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-3-ylacetamide?

The InChIKey is YNYAJGOKVSGBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15-9-16(2)11-18(10-15)26-21-7-3-6-20(19(21)14-24-26)25-22(27)12-17-5-4-8-23-13-17/h4-5,8-11,13-14,20H,3,6-7,12H2,1-2H3,(H,25,27).

What are the key properties of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-3-ylacetamide?

N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-3-ylacetamide has a molecular weight of 360.46 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 45206380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).