2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide

C23H23N5O2 — CID 58447755

IUPAC2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3ccc(N4CCNC(=O)C4)cn3)cc2)ccn1
InChIInChI=1S/C23H23N5O2/c1-16-12-19(8-9-24-16)18-4-2-17(3-5-18)13-22(29)27-21-7-6-20(14-26-21)28-11-10-25-23(30)15-28/h2-9,12,14H,10-11,13,15H2,1H3,(H,25,30)(H,26,27,29)
InChIKeyLXELYUACGQNXDK-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.57
Rot. Bonds5

About 2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide

2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide (PubChem CID 58447755) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide
PubChem CID58447755
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3ccc(N4CCNC(=O)C4)cn3)cc2)ccn1
InChIInChI=1S/C23H23N5O2/c1-16-12-19(8-9-24-16)18-4-2-17(3-5-18)13-22(29)27-21-7-6-20(14-26-21)28-11-10-25-23(30)15-28/h2-9,12,14H,10-11,13,15H2,1H3,(H,25,30)(H,26,27,29)
InChIKeyLXELYUACGQNXDK-UHFFFAOYSA-N
XLogP2.57
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide?
The IUPAC name of 2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide (CID 58447755) is 2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide is Cc1cc(-c2ccc(CC(=O)Nc3ccc(N4CCNC(=O)C4)cn3)cc2)ccn1.
What is the InChIKey of 2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide?
The InChIKey is LXELYUACGQNXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-16-12-19(8-9-24-16)18-4-2-17(3-5-18)13-22(29)27-21-7-6-20(14-26-21)28-11-10-25-23(30)15-28/h2-9,12,14H,10-11,13,15H2,1H3,(H,25,30)(H,26,27,29).
What are the key properties of 2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide?
2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide has a molecular weight of 401.47 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 58447755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).