3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide

C20H24N4O2 — CID 109053648

IUPAC3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESCCN1CCN(C(=O)c2cccc(C(=O)NCc3ccccn3)c2)CC1
InChIInChI=1S/C20H24N4O2/c1-2-23-10-12-24(13-11-23)20(26)17-7-5-6-16(14-17)19(25)22-15-18-8-3-4-9-21-18/h3-9,14H,2,10-13,15H2,1H3,(H,22,25)
InChIKeyPTDUUUCPULPRFL-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.79
Rot. Bonds5

About 3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide

3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 109053648) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide
PubChem CID109053648
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESCCN1CCN(C(=O)c2cccc(C(=O)NCc3ccccn3)c2)CC1
InChIInChI=1S/C20H24N4O2/c1-2-23-10-12-24(13-11-23)20(26)17-7-5-6-16(14-17)19(25)22-15-18-8-3-4-9-21-18/h3-9,14H,2,10-13,15H2,1H3,(H,22,25)
InChIKeyPTDUUUCPULPRFL-UHFFFAOYSA-N
XLogP1.79
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(4-ethylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 109064311
1-N-(pyridin-2-ylmethyl)-3-N-sulfanylbenzene-1,3-dicarboxamide
CID 143484238
5-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109104414
ethyl 4-[4-(pyridin-2-ylmethylcarbamoyl)benzoyl]piperazine-1-carboxylate
CID 109047539
(4-ethylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone
CID 109230428
2-(piperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109081218
1-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 113004430
2-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109084527
3-[[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-2-ylmethyl)benzamide
CID 46146385
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
3-(4-ethylpiperazine-1-carbonyl)-N-(1-phenylethyl)benzamide
CID 109053638
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide (CID 109053648) is 3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide is CCN1CCN(C(=O)c2cccc(C(=O)NCc3ccccn3)c2)CC1.
What is the InChIKey of 3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is PTDUUUCPULPRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-2-23-10-12-24(13-11-23)20(26)17-7-5-6-16(14-17)19(25)22-15-18-8-3-4-9-21-18/h3-9,14H,2,10-13,15H2,1H3,(H,22,25).
What are the key properties of 3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide?
3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 352.44 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 109053648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).