N-(6-acetamido-3-pyridinyl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide

C25H29N7O3 — CID 59548758

About N-(6-acetamido-3-pyridinyl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide

N-(6-acetamido-3-pyridinyl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide (PubChem CID 59548758) has the molecular formula C25H29N7O3 and a molecular weight of 475.55 g/mol. Its IUPAC name is N-(6-acetamido-3-pyridinyl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide.

Molecular Properties

• Compound Name: N-(6-acetamido-3-pyridinyl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide
• PubChem CID: 59548758
• Molecular Formula: C25H29N7O3
• Molecular Weight: 475.55 g/mol
• Exact Mass: 475.23
• IUPAC Name: N-(6-acetamido-3-pyridinyl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide
• SMILES: CC(=O)Nc1ccc(NC(=O)c2ccccc2N2CCN(C(=O)Cn3nc(C)cc3C)CC2)cn1
• InChI: InChI=1S/C25H29N7O3/c1-17-14-18(2)32(29-17)16-24(34)31-12-10-30(11-13-31)22-7-5-4-6-21(22)25(35)28-20-8-9-23(26-15-20)27-19(3)33/h4-9,14-15H,10-13,16H2,1-3H3,(H,28,35)(H,26,27,33)
• InChIKey: HUHGSMDWPLDXQF-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 112.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.55
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-3-pyridinyl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide?

The IUPAC name of N-(6-acetamido-3-pyridinyl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide (CID 59548758) is N-(6-acetamido-3-pyridinyl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide.

What is the SMILES notation for N-(6-acetamido-3-pyridinyl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide?

The canonical SMILES for N-(6-acetamido-3-pyridinyl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide is CC(=O)Nc1ccc(NC(=O)c2ccccc2N2CCN(C(=O)Cn3nc(C)cc3C)CC2)cn1.

What is the InChIKey of N-(6-acetamido-3-pyridinyl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide?

The InChIKey is HUHGSMDWPLDXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O3/c1-17-14-18(2)32(29-17)16-24(34)31-12-10-30(11-13-31)22-7-5-4-6-21(22)25(35)28-20-8-9-23(26-15-20)27-19(3)33/h4-9,14-15H,10-13,16H2,1-3H3,(H,28,35)(H,26,27,33).

What are the key properties of N-(6-acetamido-3-pyridinyl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide?

N-(6-acetamido-3-pyridinyl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide has a molecular weight of 475.55 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-acetamido-3-pyridinyl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide is sourced from PubChem (CID 59548758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).