3-(4-aminophenyl)-N-(pyridin-4-ylmethyl)propanamide

C15H17N3O — CID 28712872

IUPAC3-(4-aminophenyl)-N-(pyridin-4-ylmethyl)propanamide
SMILESNc1ccc(CCC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C15H17N3O/c16-14-4-1-12(2-5-14)3-6-15(19)18-11-13-7-9-17-10-8-13/h1-2,4-5,7-10H,3,6,11,16H2,(H,18,19)
InChIKeyGWEJGMCTDZOQER-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.91
Rot. Bonds5

About 3-(4-aminophenyl)-N-(pyridin-4-ylmethyl)propanamide

3-(4-aminophenyl)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 28712872) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID28712872
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-(4-aminophenyl)-N-(pyridin-4-ylmethyl)propanamide
SMILESNc1ccc(CCC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C15H17N3O/c16-14-4-1-12(2-5-14)3-6-15(19)18-11-13-7-9-17-10-8-13/h1-2,4-5,7-10H,3,6,11,16H2,(H,18,19)
InChIKeyGWEJGMCTDZOQER-UHFFFAOYSA-N
XLogP1.91
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(4-aminophenyl)-N-(pyridin-4-ylmethyl)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

3-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 61284267
3-(4-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
CID 107210228
N-[(4-fluoro-3-methylphenyl)methyl]-3-pyridin-4-ylpropanamide
CID 78878440
3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 39112705
N-(3-aminopropyl)-3-pyridin-4-ylpropanamide
CID 79018013
4-hydroxy-N-(pyridin-4-ylmethyl)butanamide
CID 79002356
N-(4-aminobutyl)-3-(4-aminophenyl)propanamide
CID 115341376
3-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 109023792
2-iodo-N-(pyridin-4-ylmethyl)acetamide
CID 138478172
3-[3-(4-aminophenyl)propanoylamino]propanoic acid
CID 113290550
N-(3-amino-3-oxopropyl)-3-(4-aminophenyl)propanamide
CID 43553907
4,4,4-trifluoro-N-(pyridin-4-ylmethyl)butanamide
CID 154583502

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(pyridin-4-ylmethyl)propanamide (CID 28712872) is 3-(4-aminophenyl)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(pyridin-4-ylmethyl)propanamide is Nc1ccc(CCC(=O)NCc2ccncc2)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is GWEJGMCTDZOQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-14-4-1-12(2-5-14)3-6-15(19)18-11-13-7-9-17-10-8-13/h1-2,4-5,7-10H,3,6,11,16H2,(H,18,19).
What are the key properties of 3-(4-aminophenyl)-N-(pyridin-4-ylmethyl)propanamide?
3-(4-aminophenyl)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 255.32 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 28712872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).