4-(4-ethylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide

C22H28N4O2 — CID 109084444

IUPAC4-(4-ethylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESCCN1CCN(C(=O)c2ccnc(C(=O)NCCCc3ccccc3)c2)CC1
InChIInChI=1S/C22H28N4O2/c1-2-25-13-15-26(16-14-25)22(28)19-10-12-23-20(17-19)21(27)24-11-6-9-18-7-4-3-5-8-18/h3-5,7-8,10,12,17H,2,6,9,11,13-16H2,1H3,(H,24,27)
InChIKeyLBTSZPFATNYBDT-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.22
Rot. Bonds7

About 4-(4-ethylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide

4-(4-ethylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide (PubChem CID 109084444) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-(4-ethylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-ethylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
PubChem CID109084444
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name4-(4-ethylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESCCN1CCN(C(=O)c2ccnc(C(=O)NCCCc3ccccc3)c2)CC1
InChIInChI=1S/C22H28N4O2/c1-2-25-13-15-26(16-14-25)22(28)19-10-12-23-20(17-19)21(27)24-11-6-9-18-7-4-3-5-8-18/h3-5,7-8,10,12,17H,2,6,9,11,13-16H2,1H3,(H,24,27)
InChIKeyLBTSZPFATNYBDT-UHFFFAOYSA-N
XLogP2.22
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(4-ethylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide 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

4-(azepane-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109089068
4-(4-formylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109084664
N-(3-phenylpropyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080564
4-(4-ethylpiperazine-1-carbonyl)-N-phenylpyridine-2-carboxamide
CID 109084455
2-(azepane-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109089026
4-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-2-carboxamide
CID 109084853
2-(4-ethylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide
CID 109077634
2-(4-benzylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide
CID 109077665
4-N-(2-methylpropyl)-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109079626
4-(4-formylpiperazine-1-carbonyl)-N-pentylpyridine-2-carboxamide
CID 109084669
ethyl 4-[2-(butylcarbamoyl)pyridine-4-carbonyl]piperazine-1-carboxylate
CID 109079428
4-N-cycloheptyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089061

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-ethylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide (CID 109084444) is 4-(4-ethylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-ethylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-ethylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide is CCN1CCN(C(=O)c2ccnc(C(=O)NCCCc3ccccc3)c2)CC1.
What is the InChIKey of 4-(4-ethylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The InChIKey is LBTSZPFATNYBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-2-25-13-15-26(16-14-25)22(28)19-10-12-23-20(17-19)21(27)24-11-6-9-18-7-4-3-5-8-18/h3-5,7-8,10,12,17H,2,6,9,11,13-16H2,1H3,(H,24,27).
What are the key properties of 4-(4-ethylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide?
4-(4-ethylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109084444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).