3-(2-amino-3-cyanoanilino)propanamide

C10H12N4O — CID 104716331

IUPAC3-(2-amino-3-cyanoanilino)propanamide
SMILESN#Cc1cccc(NCCC(N)=O)c1N
InChIInChI=1S/C10H12N4O/c11-6-7-2-1-3-8(10(7)13)14-5-4-9(12)15/h1-3,14H,4-5,13H2,(H2,12,15)
InChIKeyPRCAMDFIXOZBCC-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.43
Rot. Bonds4

About 3-(2-amino-3-cyanoanilino)propanamide

3-(2-amino-3-cyanoanilino)propanamide (PubChem CID 104716331) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(2-amino-3-cyanoanilino)propanamide.

Molecular Properties

Compound Name3-(2-amino-3-cyanoanilino)propanamide
PubChem CID104716331
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name3-(2-amino-3-cyanoanilino)propanamide
SMILESN#Cc1cccc(NCCC(N)=O)c1N
InChIInChI=1S/C10H12N4O/c11-6-7-2-1-3-8(10(7)13)14-5-4-9(12)15/h1-3,14H,4-5,13H2,(H2,12,15)
InChIKeyPRCAMDFIXOZBCC-UHFFFAOYSA-N
XLogP0.43
TPSA104.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-amino-3-cyanoanilino)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-(2-amino-3-cyanoanilino)-N-methylpropanamide
CID 104716594
3-(2-amino-3-cyanoanilino)-N-tert-butylpropanamide
CID 104717058
2-amino-3-(3-methylsulfonylpropylamino)benzonitrile
CID 113444736
2-amino-3-(3-methylsulfanylpropylamino)benzonitrile
CID 104716786
2-amino-3-[3-(2-hydroxyethoxy)propylamino]benzonitrile
CID 106308832
2-amino-3-(2-phenoxyethylamino)benzonitrile
CID 104716563
2-amino-3-(2-cyclopentylethylamino)benzonitrile
CID 104716387
2-amino-3-(2-pyrrolidin-1-ylethylamino)benzonitrile
CID 104716677
2-amino-3-[2-[ethyl(propyl)amino]ethylamino]benzonitrile
CID 114133065
2-(2-cyanoanilino)ethylurea
CID 83111551
3-(3,4-dicyanoanilino)propanamide
CID 107789225
2-amino-3-(2-methylbutan-2-ylamino)benzonitrile
CID 104716196

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-3-cyanoanilino)propanamide?
The IUPAC name of 3-(2-amino-3-cyanoanilino)propanamide (CID 104716331) is 3-(2-amino-3-cyanoanilino)propanamide.
What is the SMILES notation for 3-(2-amino-3-cyanoanilino)propanamide?
The canonical SMILES for 3-(2-amino-3-cyanoanilino)propanamide is N#Cc1cccc(NCCC(N)=O)c1N.
What is the InChIKey of 3-(2-amino-3-cyanoanilino)propanamide?
The InChIKey is PRCAMDFIXOZBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c11-6-7-2-1-3-8(10(7)13)14-5-4-9(12)15/h1-3,14H,4-5,13H2,(H2,12,15).
What are the key properties of 3-(2-amino-3-cyanoanilino)propanamide?
3-(2-amino-3-cyanoanilino)propanamide has a molecular weight of 204.23 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-3-cyanoanilino)propanamide is sourced from PubChem (CID 104716331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).