N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide

C24H25ClN6O2 — CID 58447928

IUPACN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(Cl)c3)nc2)CC1
InChIInChI=1S/C24H25ClN6O2/c1-16-11-19(5-6-26-16)24-21(25)12-18(14-28-24)13-23(33)29-22-4-3-20(15-27-22)31-9-7-30(8-10-31)17(2)32/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H,27,29,33)
InChIKeyOGPJGDJBVZJFKG-UHFFFAOYSA-N
MW464.96 g/mol
LogP3.35
Rot. Bonds5

About N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide

N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide (PubChem CID 58447928) has the molecular formula C24H25ClN6O2 and a molecular weight of 464.96 g/mol. Its IUPAC name is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
PubChem CID58447928
Molecular FormulaC24H25ClN6O2
Molecular Weight464.96 g/mol
Exact Mass464.17
IUPAC NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(Cl)c3)nc2)CC1
InChIInChI=1S/C24H25ClN6O2/c1-16-11-19(5-6-26-16)24-21(25)12-18(14-28-24)13-23(33)29-22-4-3-20(15-27-22)31-9-7-30(8-10-31)17(2)32/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H,27,29,33)
InChIKeyOGPJGDJBVZJFKG-UHFFFAOYSA-N
XLogP3.35
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.96
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide (CID 58447928) is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide is CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(Cl)c3)nc2)CC1.
What is the InChIKey of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The InChIKey is OGPJGDJBVZJFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O2/c1-16-11-19(5-6-26-16)24-21(25)12-18(14-28-24)13-23(33)29-22-4-3-20(15-27-22)31-9-7-30(8-10-31)17(2)32/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H,27,29,33).
What are the key properties of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide has a molecular weight of 464.96 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 58447928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).