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

C21H24N4O3 — CID 109084664

IUPAC4-(4-formylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESO=CN1CCN(C(=O)c2ccnc(C(=O)NCCCc3ccccc3)c2)CC1
InChIInChI=1S/C21H24N4O3/c26-16-24-11-13-25(14-12-24)21(28)18-8-10-22-19(15-18)20(27)23-9-4-7-17-5-2-1-3-6-17/h1-3,5-6,8,10,15-16H,4,7,9,11-14H2,(H,23,27)
InChIKeyPWAPIFCRTQMYMP-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.36
Rot. Bonds7

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

4-(4-formylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide (PubChem CID 109084664) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-(4-formylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-formylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
PubChem CID109084664
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name4-(4-formylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESO=CN1CCN(C(=O)c2ccnc(C(=O)NCCCc3ccccc3)c2)CC1
InChIInChI=1S/C21H24N4O3/c26-16-24-11-13-25(14-12-24)21(28)18-8-10-22-19(15-18)20(27)23-9-4-7-17-5-2-1-3-6-17/h1-3,5-6,8,10,15-16H,4,7,9,11-14H2,(H,23,27)
InChIKeyPWAPIFCRTQMYMP-UHFFFAOYSA-N
XLogP1.36
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(azepane-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109089068
4-(4-ethylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109084444
4-(4-formylpiperazine-1-carbonyl)-N-pentylpyridine-2-carboxamide
CID 109084669
4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazine-1-carbaldehyde
CID 109168852
N-(3-phenylpropyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080564
2-(azepane-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109089026
4-(4-formylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109208875
N-cyclopropyl-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109078616
2-N-(3-phenylpropyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078863
4-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-2-carboxamide
CID 109084853
4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 108988593
4-N-cycloheptyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089061

Frequently Asked Questions

What is the IUPAC name of 4-(4-formylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-formylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide (CID 109084664) is 4-(4-formylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-formylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-formylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide is O=CN1CCN(C(=O)c2ccnc(C(=O)NCCCc3ccccc3)c2)CC1.
What is the InChIKey of 4-(4-formylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The InChIKey is PWAPIFCRTQMYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c26-16-24-11-13-25(14-12-24)21(28)18-8-10-22-19(15-18)20(27)23-9-4-7-17-5-2-1-3-6-17/h1-3,5-6,8,10,15-16H,4,7,9,11-14H2,(H,23,27).
What are the key properties of 4-(4-formylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide?
4-(4-formylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-formylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109084664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).