3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one

C24H27ClN4O2 — CID 54739671

About 3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one

3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one (PubChem CID 54739671) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is 3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one.

Molecular Properties

• Compound Name: 3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one
• PubChem CID: 54739671
• Molecular Formula: C24H27ClN4O2
• Molecular Weight: 438.96 g/mol
• Exact Mass: 438.18
• IUPAC Name: 3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one
• SMILES: Cc1cc(O)c([C@@H](c2cccc(Cl)c2)N2CCN(C)CC2)c(=O)n1Cc1ccccn1
• InChI: InChI=1S/C24H27ClN4O2/c1-17-14-21(30)22(24(31)29(17)16-20-8-3-4-9-26-20)23(18-6-5-7-19(25)15-18)28-12-10-27(2)11-13-28/h3-9,14-15,23,30H,10-13,16H2,1-2H3/t23-/m1/s1
• InChIKey: GDBPJYUVLQDKDC-HSZRJFAPSA-N
• XLogP: 3.30
• 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	438.96
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one (CID 54739671) is 3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one.

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

The canonical SMILES for 3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one is Cc1cc(O)c([C@@H](c2cccc(Cl)c2)N2CCN(C)CC2)c(=O)n1Cc1ccccn1.

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

The InChIKey is GDBPJYUVLQDKDC-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c1-17-14-21(30)22(24(31)29(17)16-20-8-3-4-9-26-20)23(18-6-5-7-19(25)15-18)28-12-10-27(2)11-13-28/h3-9,14-15,23,30H,10-13,16H2,1-2H3/t23-/m1/s1.

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

3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one has a molecular weight of 438.96 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one is sourced from PubChem (CID 54739671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).