N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]propanamide

C13H18N4O2 — CID 113011103

IUPACN-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(N2CCN(C=O)CC2)nc1
InChIInChI=1S/C13H18N4O2/c1-2-13(19)15-11-3-4-12(14-9-11)17-7-5-16(10-18)6-8-17/h3-4,9-10H,2,5-8H2,1H3,(H,15,19)
InChIKeyWVNPJGSWFITHFM-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.71
Rot. Bonds4

About N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]propanamide

N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]propanamide (PubChem CID 113011103) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]propanamide
PubChem CID113011103
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(N2CCN(C=O)CC2)nc1
InChIInChI=1S/C13H18N4O2/c1-2-13(19)15-11-3-4-12(14-9-11)17-7-5-16(10-18)6-8-17/h3-4,9-10H,2,5-8H2,1H3,(H,15,19)
InChIKeyWVNPJGSWFITHFM-UHFFFAOYSA-N
XLogP0.71
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]propanamide 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

2-(4-fluorophenyl)-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 113011137
N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113011160
1-cyclohexyl-3-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]urea
CID 113011163
2-bromo-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 113011122
N-(6-piperidin-1-yl-3-pyridinyl)pentanamide
CID 18144003
6-(4-formylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 82116544
2-amino-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]acetamide
CID 39181827
N-[6-(2-oxo-3-phenylimidazolidin-1-yl)-3-pyridinyl]propanamide
CID 53187696
4-ethyl-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113011184
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953
N-[6-[4-(2-hydroxybutyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylacetamide
CID 42857905
N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 11530247

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]propanamide?
The IUPAC name of N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]propanamide (CID 113011103) is N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]propanamide.
What is the SMILES notation for N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]propanamide?
The canonical SMILES for N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]propanamide is CCC(=O)Nc1ccc(N2CCN(C=O)CC2)nc1.
What is the InChIKey of N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]propanamide?
The InChIKey is WVNPJGSWFITHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-2-13(19)15-11-3-4-12(14-9-11)17-7-5-16(10-18)6-8-17/h3-4,9-10H,2,5-8H2,1H3,(H,15,19).
What are the key properties of N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]propanamide?
N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]propanamide has a molecular weight of 262.31 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]propanamide is sourced from PubChem (CID 113011103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).