1-benzyl-4-hydroxy-6-methyl-3-[(4-phenylpiperazin-1-yl)-pyridin-4-ylmethyl]pyridin-2-one

C29H30N4O2 — CID 54729077

IUPAC1-benzyl-4-hydroxy-6-methyl-3-[(4-phenylpiperazin-1-yl)-pyridin-4-ylmethyl]pyridin-2-one
SMILESCc1cc(O)c(C(c2ccncc2)N2CCN(c3ccccc3)CC2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C29H30N4O2/c1-22-20-26(34)27(29(35)33(22)21-23-8-4-2-5-9-23)28(24-12-14-30-15-13-24)32-18-16-31(17-19-32)25-10-6-3-7-11-25/h2-15,20,28,34H,16-19,21H2,1H3
InChIKeyDQLITAVFYMZPFO-UHFFFAOYSA-N
MW466.59 g/mol
LogP4.22
Rot. Bonds6

About 1-benzyl-4-hydroxy-6-methyl-3-[(4-phenylpiperazin-1-yl)-pyridin-4-ylmethyl]pyridin-2-one

1-benzyl-4-hydroxy-6-methyl-3-[(4-phenylpiperazin-1-yl)-pyridin-4-ylmethyl]pyridin-2-one (PubChem CID 54729077) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is 1-benzyl-4-hydroxy-6-methyl-3-[(4-phenylpiperazin-1-yl)-pyridin-4-ylmethyl]pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-4-hydroxy-6-methyl-3-[(4-phenylpiperazin-1-yl)-pyridin-4-ylmethyl]pyridin-2-one
PubChem CID54729077
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC Name1-benzyl-4-hydroxy-6-methyl-3-[(4-phenylpiperazin-1-yl)-pyridin-4-ylmethyl]pyridin-2-one
SMILESCc1cc(O)c(C(c2ccncc2)N2CCN(c3ccccc3)CC2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C29H30N4O2/c1-22-20-26(34)27(29(35)33(22)21-23-8-4-2-5-9-23)28(24-12-14-30-15-13-24)32-18-16-31(17-19-32)25-10-6-3-7-11-25/h2-15,20,28,34H,16-19,21H2,1H3
InChIKeyDQLITAVFYMZPFO-UHFFFAOYSA-N
XLogP4.22
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-hydroxy-6-methyl-3-[(4-phenylpiperazin-1-yl)-pyridin-4-ylmethyl]pyridin-2-one?
The IUPAC name of 1-benzyl-4-hydroxy-6-methyl-3-[(4-phenylpiperazin-1-yl)-pyridin-4-ylmethyl]pyridin-2-one (CID 54729077) is 1-benzyl-4-hydroxy-6-methyl-3-[(4-phenylpiperazin-1-yl)-pyridin-4-ylmethyl]pyridin-2-one.
What is the SMILES notation for 1-benzyl-4-hydroxy-6-methyl-3-[(4-phenylpiperazin-1-yl)-pyridin-4-ylmethyl]pyridin-2-one?
The canonical SMILES for 1-benzyl-4-hydroxy-6-methyl-3-[(4-phenylpiperazin-1-yl)-pyridin-4-ylmethyl]pyridin-2-one is Cc1cc(O)c(C(c2ccncc2)N2CCN(c3ccccc3)CC2)c(=O)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-hydroxy-6-methyl-3-[(4-phenylpiperazin-1-yl)-pyridin-4-ylmethyl]pyridin-2-one?
The InChIKey is DQLITAVFYMZPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/c1-22-20-26(34)27(29(35)33(22)21-23-8-4-2-5-9-23)28(24-12-14-30-15-13-24)32-18-16-31(17-19-32)25-10-6-3-7-11-25/h2-15,20,28,34H,16-19,21H2,1H3.
What are the key properties of 1-benzyl-4-hydroxy-6-methyl-3-[(4-phenylpiperazin-1-yl)-pyridin-4-ylmethyl]pyridin-2-one?
1-benzyl-4-hydroxy-6-methyl-3-[(4-phenylpiperazin-1-yl)-pyridin-4-ylmethyl]pyridin-2-one has a molecular weight of 466.59 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-hydroxy-6-methyl-3-[(4-phenylpiperazin-1-yl)-pyridin-4-ylmethyl]pyridin-2-one is sourced from PubChem (CID 54729077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).