5-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyridine-3-carboxamide

C21H26N4O2 — CID 109231167

IUPAC5-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cncc(N2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C21H26N4O2/c1-3-23(16-18-7-5-4-6-8-18)21(27)19-13-20(15-22-14-19)25-11-9-24(10-12-25)17(2)26/h4-8,13-15H,3,9-12,16H2,1-2H3
InChIKeyKOYSLJGZBAZWKQ-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.41
Rot. Bonds5

About 5-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyridine-3-carboxamide

5-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyridine-3-carboxamide (PubChem CID 109231167) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 5-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyridine-3-carboxamide
PubChem CID109231167
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name5-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cncc(N2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C21H26N4O2/c1-3-23(16-18-7-5-4-6-8-18)21(27)19-13-20(15-22-14-19)25-11-9-24(10-12-25)17(2)26/h4-8,13-15H,3,9-12,16H2,1-2H3
InChIKeyKOYSLJGZBAZWKQ-UHFFFAOYSA-N
XLogP2.41
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyrimidine-5-carboxamide
CID 109254752
5-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109231191
N,N-diethyl-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106558
5-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-carboxamide
CID 109238491
5-N-benzyl-5-N-ethyl-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105843
3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzyl-N-ethylbenzamide
CID 19257293
N-benzyl-5-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridine-3-carboxamide
CID 109227244
ethyl 4-[5-(benzylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109231667
N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride
CID 110755487
5-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 109231183
N-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250116
5-N-benzyl-5-N-ethyl-3-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103413

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyridine-3-carboxamide?
The IUPAC name of 5-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyridine-3-carboxamide (CID 109231167) is 5-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 5-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 5-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyridine-3-carboxamide is CCN(Cc1ccccc1)C(=O)c1cncc(N2CCN(C(C)=O)CC2)c1.
What is the InChIKey of 5-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyridine-3-carboxamide?
The InChIKey is KOYSLJGZBAZWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-3-23(16-18-7-5-4-6-8-18)21(27)19-13-20(15-22-14-19)25-11-9-24(10-12-25)17(2)26/h4-8,13-15H,3,9-12,16H2,1-2H3.
What are the key properties of 5-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyridine-3-carboxamide?
5-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyridine-3-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 109231167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).