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

C41H43N7O2 — CID 73438509

About 2-methyl-3-pyridin-3-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide

2-methyl-3-pyridin-3-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide (PubChem CID 73438509) has the molecular formula C41H43N7O2 and a molecular weight of 665.84 g/mol. Its IUPAC name is 2-methyl-3-pyridin-3-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

• Compound Name: 2-methyl-3-pyridin-3-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide
• PubChem CID: 73438509
• Molecular Formula: C41H43N7O2
• Molecular Weight: 665.84 g/mol
• Exact Mass: 665.35
• IUPAC Name: 2-methyl-3-pyridin-3-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide
• SMILES: Cc1c(C(=O)NC2CCN(Cc3ccc(N4CCC(NC(=O)c5cccc(-c6cccnc6)c5)CC4)nc3)CC2)cccc1-c1cccnc1
• InChI: InChI=1S/C41H43N7O2/c1-29-37(34-9-5-19-43-27-34)10-3-11-38(29)41(50)46-35-14-20-47(21-15-35)28-30-12-13-39(44-25-30)48-22-16-36(17-23-48)45-40(49)32-7-2-6-31(24-32)33-8-4-18-42-26-33/h2-13,18-19,24-27,35-36H,14-17,20-23,28H2,1H3,(H,45,49)(H,46,50)
• InChIKey: AZWXKAXPIWPLER-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 2-methyl-3-pyridin-3-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide?

The IUPAC name of 2-methyl-3-pyridin-3-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide (CID 73438509) is 2-methyl-3-pyridin-3-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 2-methyl-3-pyridin-3-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide?

The canonical SMILES for 2-methyl-3-pyridin-3-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide is Cc1c(C(=O)NC2CCN(Cc3ccc(N4CCC(NC(=O)c5cccc(-c6cccnc6)c5)CC4)nc3)CC2)cccc1-c1cccnc1.

What is the InChIKey of 2-methyl-3-pyridin-3-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide?

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

What are the key properties of 2-methyl-3-pyridin-3-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide?

2-methyl-3-pyridin-3-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 2-methyl-3-pyridin-3-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 73438509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).