N-benzyl-2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide

C28H34N4O2 — CID 166629240

IUPACN-benzyl-2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
SMILESCCN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccc4)nc3)cc2)CC1
InChIInChI=1S/C28H34N4O2/c1-2-31-14-16-32(17-15-31)18-19-34-27-12-9-24(10-13-27)25-8-11-26(29-22-25)20-28(33)30-21-23-6-4-3-5-7-23/h3-13,22H,2,14-21H2,1H3,(H,30,33)
InChIKeyGBRQZVDAWNZIPK-UHFFFAOYSA-N
MW458.61 g/mol
LogP3.62
Rot. Bonds10

About N-benzyl-2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide

N-benzyl-2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide (PubChem CID 166629240) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is N-benzyl-2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
PubChem CID166629240
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC NameN-benzyl-2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
SMILESCCN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccc4)nc3)cc2)CC1
InChIInChI=1S/C28H34N4O2/c1-2-31-14-16-32(17-15-31)18-19-34-27-12-9-24(10-13-27)25-8-11-26(29-22-25)20-28(33)30-21-23-6-4-3-5-7-23/h3-13,22H,2,14-21H2,1H3,(H,30,33)
InChIKeyGBRQZVDAWNZIPK-UHFFFAOYSA-N
XLogP3.62
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-2-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-benzyl-2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide?
The IUPAC name of N-benzyl-2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide (CID 166629240) is N-benzyl-2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-benzyl-2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-benzyl-2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide is CCN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccc4)nc3)cc2)CC1.
What is the InChIKey of N-benzyl-2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide?
The InChIKey is GBRQZVDAWNZIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-2-31-14-16-32(17-15-31)18-19-34-27-12-9-24(10-13-27)25-8-11-26(29-22-25)20-28(33)30-21-23-6-4-3-5-7-23/h3-13,22H,2,14-21H2,1H3,(H,30,33).
What are the key properties of N-benzyl-2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide?
N-benzyl-2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide has a molecular weight of 458.61 g/mol, XLogP of 3.62, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 166629240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).