2-(4-cyanoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

C20H23N5O — CID 109010682

IUPAC2-(4-cyanoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)CNc3ccc(C#N)cc3)cc2)CC1
InChIInChI=1S/C20H23N5O/c1-24-10-12-25(13-11-24)19-8-6-18(7-9-19)23-20(26)15-22-17-4-2-16(14-21)3-5-17/h2-9,22H,10-13,15H2,1H3,(H,23,26)
InChIKeyYJQHRYSVIZDSHW-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.36
Rot. Bonds5

About 2-(4-cyanoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

2-(4-cyanoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 109010682) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID109010682
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-(4-cyanoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)CNc3ccc(C#N)cc3)cc2)CC1
InChIInChI=1S/C20H23N5O/c1-24-10-12-25(13-11-24)19-8-6-18(7-9-19)23-20(26)15-22-17-4-2-16(14-21)3-5-17/h2-9,22H,10-13,15H2,1H3,(H,23,26)
InChIKeyYJQHRYSVIZDSHW-UHFFFAOYSA-N
XLogP2.36
TPSA71.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-cyanoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide 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-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)acetamide
CID 37221907
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-propan-2-ylanilino)acetamide
CID 109007895
N-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109009137
methyl 4-[[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]amino]benzoate
CID 109010179
N-(3-chloro-4-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109008673
4-(4-methylpiperazin-1-yl)benzonitrile
CID 763205
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
2-(2-ethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109007621
N-(4-cyanophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 30400948
N-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide
CID 9098665
N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108969922
N-(2-tert-butylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109008238

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-cyanoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 109010682) is 2-(4-cyanoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-cyanoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-cyanoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is CN1CCN(c2ccc(NC(=O)CNc3ccc(C#N)cc3)cc2)CC1.
What is the InChIKey of 2-(4-cyanoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is YJQHRYSVIZDSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-24-10-12-25(13-11-24)19-8-6-18(7-9-19)23-20(26)15-22-17-4-2-16(14-21)3-5-17/h2-9,22H,10-13,15H2,1H3,(H,23,26).
What are the key properties of 2-(4-cyanoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-(4-cyanoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 349.44 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 109010682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).