4-methyl-3-pyridin-4-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide

C41H43N7O2 — CID 118154894

About 4-methyl-3-pyridin-4-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide

4-methyl-3-pyridin-4-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide (PubChem CID 118154894) has the molecular formula C41H43N7O2 and a molecular weight of 665.84 g/mol. Its IUPAC name is 4-methyl-3-pyridin-4-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

• Compound Name: 4-methyl-3-pyridin-4-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide
• PubChem CID: 118154894
• Molecular Formula: C41H43N7O2
• Molecular Weight: 665.84 g/mol
• Exact Mass: 665.35
• IUPAC Name: 4-methyl-3-pyridin-4-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide
• SMILES: Cc1ccc(C(=O)NC2CCN(Cc3ccc(N4CCC(NC(=O)c5cccc(-c6cccnc6)c5)CC4)nc3)CC2)cc1-c1ccncc1
• InChI: InChI=1S/C41H43N7O2/c1-29-7-9-34(25-38(29)31-11-18-42-19-12-31)41(50)45-36-13-20-47(21-14-36)28-30-8-10-39(44-26-30)48-22-15-37(16-23-48)46-40(49)33-5-2-4-32(24-33)35-6-3-17-43-27-35/h2-12,17-19,24-27,36-37H,13-16,20-23,28H2,1H3,(H,45,50)(H,46,49)
• InChIKey: GMUCMPFSZAPVBX-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 103.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	665.84
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-pyridin-4-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide?

The IUPAC name of 4-methyl-3-pyridin-4-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide (CID 118154894) is 4-methyl-3-pyridin-4-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide.

What is the SMILES notation for 4-methyl-3-pyridin-4-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide?

The canonical SMILES for 4-methyl-3-pyridin-4-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide is Cc1ccc(C(=O)NC2CCN(Cc3ccc(N4CCC(NC(=O)c5cccc(-c6cccnc6)c5)CC4)nc3)CC2)cc1-c1ccncc1.

What is the InChIKey of 4-methyl-3-pyridin-4-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide?

The InChIKey is GMUCMPFSZAPVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H43N7O2/c1-29-7-9-34(25-38(29)31-11-18-42-19-12-31)41(50)45-36-13-20-47(21-14-36)28-30-8-10-39(44-26-30)48-22-15-37(16-23-48)46-40(49)33-5-2-4-32(24-33)35-6-3-17-43-27-35/h2-12,17-19,24-27,36-37H,13-16,20-23,28H2,1H3,(H,45,50)(H,46,49).

What are the key properties of 4-methyl-3-pyridin-4-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide?

4-methyl-3-pyridin-4-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide has a molecular weight of 665.84 g/mol, XLogP of 6.31, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-3-pyridin-4-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 118154894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).