[(2R,3R)-3-methyl-2-[2-(5-methyl-2-pyridinyl)ethyl]piperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone

C23H28N6O — CID 148926189

About [(2R,3R)-3-methyl-2-[2-(5-methyl-2-pyridinyl)ethyl]piperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone

[(2R,3R)-3-methyl-2-[2-(5-methyl-2-pyridinyl)ethyl]piperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone (PubChem CID 148926189) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is [(2R,3R)-3-methyl-2-[2-(5-methyl-2-pyridinyl)ethyl]piperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone.

Molecular Properties

• Compound Name: [(2R,3R)-3-methyl-2-[2-(5-methyl-2-pyridinyl)ethyl]piperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
• PubChem CID: 148926189
• Molecular Formula: C23H28N6O
• Molecular Weight: 404.52 g/mol
• Exact Mass: 404.23
• IUPAC Name: [(2R,3R)-3-methyl-2-[2-(5-methyl-2-pyridinyl)ethyl]piperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
• SMILES: Cc1ccc(CC[C@@H]2[C@H](C)CCCN2C(=O)c2nc(C)ccc2-n2nccn2)nc1
• InChI: InChI=1S/C23H28N6O/c1-16-6-8-19(24-15-16)9-11-20-17(2)5-4-14-28(20)23(30)22-21(10-7-18(3)27-22)29-25-12-13-26-29/h6-8,10,12-13,15,17,20H,4-5,9,11,14H2,1-3H3/t17-,20-/m1/s1
• InChIKey: PLALCAUJEKEVNL-YLJYHZDGSA-N
• XLogP: 3.55
• TPSA: 76.80 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.52
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-methyl-2-[2-(5-methyl-2-pyridinyl)ethyl]piperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?

The IUPAC name of [(2R,3R)-3-methyl-2-[2-(5-methyl-2-pyridinyl)ethyl]piperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone (CID 148926189) is [(2R,3R)-3-methyl-2-[2-(5-methyl-2-pyridinyl)ethyl]piperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone.

What is the SMILES notation for [(2R,3R)-3-methyl-2-[2-(5-methyl-2-pyridinyl)ethyl]piperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?

The canonical SMILES for [(2R,3R)-3-methyl-2-[2-(5-methyl-2-pyridinyl)ethyl]piperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone is Cc1ccc(CC[C@@H]2[C@H](C)CCCN2C(=O)c2nc(C)ccc2-n2nccn2)nc1.

What is the InChIKey of [(2R,3R)-3-methyl-2-[2-(5-methyl-2-pyridinyl)ethyl]piperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?

The InChIKey is PLALCAUJEKEVNL-YLJYHZDGSA-N. The full InChI is InChI=1S/C23H28N6O/c1-16-6-8-19(24-15-16)9-11-20-17(2)5-4-14-28(20)23(30)22-21(10-7-18(3)27-22)29-25-12-13-26-29/h6-8,10,12-13,15,17,20H,4-5,9,11,14H2,1-3H3/t17-,20-/m1/s1.

What are the key properties of [(2R,3R)-3-methyl-2-[2-(5-methyl-2-pyridinyl)ethyl]piperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?

[(2R,3R)-3-methyl-2-[2-(5-methyl-2-pyridinyl)ethyl]piperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone has a molecular weight of 404.52 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R)-3-methyl-2-[2-(5-methyl-2-pyridinyl)ethyl]piperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 148926189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).