3-(3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide

C20H22N4O — CID 109041774

IUPAC3-(3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESN#Cc1cccc(NCCC(=O)Nc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C20H22N4O/c21-15-16-4-3-5-18(14-16)22-11-10-20(25)23-17-6-8-19(9-7-17)24-12-1-2-13-24/h3-9,14,22H,1-2,10-13H2,(H,23,25)
InChIKeyIHACNCKRVBHEKC-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.60
Rot. Bonds6

About 3-(3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide

3-(3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 109041774) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-(3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID109041774
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name3-(3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESN#Cc1cccc(NCCC(=O)Nc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C20H22N4O/c21-15-16-4-3-5-18(14-16)22-11-10-20(25)23-17-6-8-19(9-7-17)24-12-1-2-13-24/h3-9,14,22H,1-2,10-13H2,(H,23,25)
InChIKeyIHACNCKRVBHEKC-UHFFFAOYSA-N
XLogP3.60
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-(3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)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

N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109033848
3-(3-methylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109034292
3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041751
N-phenyl-3-(4-piperidin-1-ylanilino)propanamide
CID 109033849
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
methyl 3-[[3-oxo-3-(4-pyrrolidin-1-ylanilino)propyl]amino]benzoate
CID 109041429
3-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041778
3-(3-cyanoanilino)-N-(2,6-difluorophenyl)propanamide
CID 109042830
N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037669
1-N-(3-cyanophenyl)-2-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143968
N-(2,6-dichlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041798
ethyl 4-[3-(3-cyanoanilino)propanoylamino]benzoate
CID 109042440

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 3-(3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide (CID 109041774) is 3-(3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-(3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide is N#Cc1cccc(NCCC(=O)Nc2ccc(N3CCCC3)cc2)c1.
What is the InChIKey of 3-(3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is IHACNCKRVBHEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c21-15-16-4-3-5-18(14-16)22-11-10-20(25)23-17-6-8-19(9-7-17)24-12-1-2-13-24/h3-9,14,22H,1-2,10-13H2,(H,23,25).
What are the key properties of 3-(3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
3-(3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 334.42 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 109041774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).