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

C24H27ClN4O2 — CID 54739671

IUPAC3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one
SMILESCc1cc(O)c([C@@H](c2cccc(Cl)c2)N2CCN(C)CC2)c(=O)n1Cc1ccccn1
InChIInChI=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
InChIKeyGDBPJYUVLQDKDC-HSZRJFAPSA-N
MW438.96 g/mol
LogP3.30
Rot. Bonds5

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 Name3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one
PubChem CID54739671
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC Name3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one
SMILESCc1cc(O)c([C@@H](c2cccc(Cl)c2)N2CCN(C)CC2)c(=O)n1Cc1ccccn1
InChIInChI=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
InChIKeyGDBPJYUVLQDKDC-HSZRJFAPSA-N
XLogP3.30
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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).