4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one

C24H29N5O3 — CID 54739630

About 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one

4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one (PubChem CID 54739630) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one.

Molecular Properties

• Compound Name: 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one
• PubChem CID: 54739630
• Molecular Formula: C24H29N5O3
• Molecular Weight: 435.53 g/mol
• Exact Mass: 435.23
• IUPAC Name: 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one
• SMILES: COCCn1c(C)cc(O)c([C@H](c2ccccn2)N2CCN(c3ccccn3)CC2)c1=O
• InChI: InChI=1S/C24H29N5O3/c1-18-17-20(30)22(24(31)29(18)15-16-32-2)23(19-7-3-5-9-25-19)28-13-11-27(12-14-28)21-8-4-6-10-26-21/h3-10,17,23,30H,11-16H2,1-2H3/t23-/m0/s1
• InChIKey: BUCGNBIUQDIBBV-QHCPKHFHSA-N
• XLogP: 2.21
• TPSA: 83.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.53
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one?

The IUPAC name of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one (CID 54739630) is 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one.

What is the SMILES notation for 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one?

The canonical SMILES for 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one is COCCn1c(C)cc(O)c([C@H](c2ccccn2)N2CCN(c3ccccn3)CC2)c1=O.

What is the InChIKey of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one?

The InChIKey is BUCGNBIUQDIBBV-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-18-17-20(30)22(24(31)29(18)15-16-32-2)23(19-7-3-5-9-25-19)28-13-11-27(12-14-28)21-8-4-6-10-26-21/h3-10,17,23,30H,11-16H2,1-2H3/t23-/m0/s1.

What are the key properties of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one?

4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one has a molecular weight of 435.53 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one is sourced from PubChem (CID 54739630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).