3-(4-aminophenyl)-N-pyridin-2-ylpropanamide

C14H15N3O — CID 28713222

IUPAC3-(4-aminophenyl)-N-pyridin-2-ylpropanamide
SMILESNc1ccc(CCC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C14H15N3O/c15-12-7-4-11(5-8-12)6-9-14(18)17-13-3-1-2-10-16-13/h1-5,7-8,10H,6,9,15H2,(H,16,17,18)
InChIKeyHEVFWEKVFQBTOV-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.24
Rot. Bonds4

About 3-(4-aminophenyl)-N-pyridin-2-ylpropanamide

3-(4-aminophenyl)-N-pyridin-2-ylpropanamide (PubChem CID 28713222) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-pyridin-2-ylpropanamide
PubChem CID28713222
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3-(4-aminophenyl)-N-pyridin-2-ylpropanamide
SMILESNc1ccc(CCC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C14H15N3O/c15-12-7-4-11(5-8-12)6-9-14(18)17-13-3-1-2-10-16-13/h1-5,7-8,10H,6,9,15H2,(H,16,17,18)
InChIKeyHEVFWEKVFQBTOV-UHFFFAOYSA-N
XLogP2.24
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.24
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-2-ylpropanamide 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

N,N'-dipyridin-2-ylbutanediamide
CID 3684644
molecular hydrogen;N-pyridin-2-ylbutanamide
CID 142960531
3-(4-aminophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 28713241
3-(4-aminophenyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 54905585
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
3-(4-aminophenyl)-N-(1,3-benzothiazol-2-yl)propanamide
CID 61037275
2-(4-aminophenyl)-N-[3-(pyridin-2-ylamino)propyl]acetamide;dihydrochloride
CID 119854549
3-(4-aminophenyl)-N-(2-methoxyphenyl)propanamide
CID 28713140
4-(4-aminophenyl)-N-phenylbutanamide
CID 19353885
N-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795313
2-[5-(4-aminophenyl)triazol-1-yl]-N-pyridin-2-ylacetamide
CID 82211721
(E)-3-(4-aminophenyl)-N-pyridin-2-ylprop-2-enamide
CID 115342586

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-pyridin-2-ylpropanamide?
The IUPAC name of 3-(4-aminophenyl)-N-pyridin-2-ylpropanamide (CID 28713222) is 3-(4-aminophenyl)-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-pyridin-2-ylpropanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-pyridin-2-ylpropanamide is Nc1ccc(CCC(=O)Nc2ccccn2)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-pyridin-2-ylpropanamide?
The InChIKey is HEVFWEKVFQBTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-12-7-4-11(5-8-12)6-9-14(18)17-13-3-1-2-10-16-13/h1-5,7-8,10H,6,9,15H2,(H,16,17,18).
What are the key properties of 3-(4-aminophenyl)-N-pyridin-2-ylpropanamide?
3-(4-aminophenyl)-N-pyridin-2-ylpropanamide has a molecular weight of 241.29 g/mol, XLogP of 2.24, 4 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-2-ylpropanamide is sourced from PubChem (CID 28713222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).