2-[3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide

C26H29ClN4O — CID 110252623

About 2-[3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 110252623) has the molecular formula C26H29ClN4O and a molecular weight of 449.00 g/mol. Its IUPAC name is 2-[3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
• PubChem CID: 110252623
• Molecular Formula: C26H29ClN4O
• Molecular Weight: 449.00 g/mol
• Exact Mass: 448.20
• IUPAC Name: 2-[3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
• SMILES: Cc1cc(Cc2cccc(Cl)c2)cc(C2CCCN(CC(=O)NCc3ccccn3)C2)n1
• InChI: InChI=1S/C26H29ClN4O/c1-19-12-21(13-20-6-4-8-23(27)14-20)15-25(30-19)22-7-5-11-31(17-22)18-26(32)29-16-24-9-2-3-10-28-24/h2-4,6,8-10,12,14-15,22H,5,7,11,13,16-18H2,1H3,(H,29,32)
• InChIKey: WCSYUEAXCCPDKD-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.00
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?

The IUPAC name of 2-[3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 110252623) is 2-[3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?

The canonical SMILES for 2-[3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide is Cc1cc(Cc2cccc(Cl)c2)cc(C2CCCN(CC(=O)NCc3ccccn3)C2)n1.

What is the InChIKey of 2-[3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?

The InChIKey is WCSYUEAXCCPDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O/c1-19-12-21(13-20-6-4-8-23(27)14-20)15-25(30-19)22-7-5-11-31(17-22)18-26(32)29-16-24-9-2-3-10-28-24/h2-4,6,8-10,12,14-15,22H,5,7,11,13,16-18H2,1H3,(H,29,32).

What are the key properties of 2-[3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?

2-[3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 449.00 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 110252623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).