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

C25H30N4O2 — CID 54720775

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

1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one (PubChem CID 54720775) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one.

Molecular Properties

• Compound Name: 1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one
• PubChem CID: 54720775
• Molecular Formula: C25H30N4O2
• Molecular Weight: 418.54 g/mol
• Exact Mass: 418.24
• IUPAC Name: 1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one
• SMILES: CCn1c(C)cc(O)c([C@@H](c2ccc(C)cc2)N2CCN(c3ccccn3)CC2)c1=O
• InChI: InChI=1S/C25H30N4O2/c1-4-29-19(3)17-21(30)23(25(29)31)24(20-10-8-18(2)9-11-20)28-15-13-27(14-16-28)22-7-5-6-12-26-22/h5-12,17,24,30H,4,13-16H2,1-3H3/t24-/m1/s1
• InChIKey: OPYHHWCOGQWUAV-XMMPIXPASA-N
• XLogP: 3.50
• TPSA: 61.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.54
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one (CID 54720775) is 1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one.

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

The canonical SMILES for 1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one is CCn1c(C)cc(O)c([C@@H](c2ccc(C)cc2)N2CCN(c3ccccn3)CC2)c1=O.

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

The InChIKey is OPYHHWCOGQWUAV-XMMPIXPASA-N. The full InChI is InChI=1S/C25H30N4O2/c1-4-29-19(3)17-21(30)23(25(29)31)24(20-10-8-18(2)9-11-20)28-15-13-27(14-16-28)22-7-5-6-12-26-22/h5-12,17,24,30H,4,13-16H2,1-3H3/t24-/m1/s1.

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

1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one has a molecular weight of 418.54 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one is sourced from PubChem (CID 54720775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).