2-(N-acetyl-3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide

C21H22N4O2 — CID 113180974

IUPAC2-(N-acetyl-3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(N2CCCC2)cc1)c1cccc(C#N)c1
InChIInChI=1S/C21H22N4O2/c1-16(26)25(20-6-4-5-17(13-20)14-22)15-21(27)23-18-7-9-19(10-8-18)24-11-2-3-12-24/h4-10,13H,2-3,11-12,15H2,1H3,(H,23,27)
InChIKeyKPIIGISXESFYGP-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.15
Rot. Bonds5

About 2-(N-acetyl-3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-(N-acetyl-3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 113180974) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(N-acetyl-3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID113180974
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-(N-acetyl-3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(N2CCCC2)cc1)c1cccc(C#N)c1
InChIInChI=1S/C21H22N4O2/c1-16(26)25(20-6-4-5-17(13-20)14-22)15-21(27)23-18-7-9-19(10-8-18)24-11-2-3-12-24/h4-10,13H,2-3,11-12,15H2,1H3,(H,23,27)
InChIKeyKPIIGISXESFYGP-UHFFFAOYSA-N
XLogP3.15
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(N-acetyl-3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113173445
2-(N-acetyl-3-cyanoanilino)-N-(4-tert-butylphenyl)acetamide
CID 113180933
2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(3-cyanophenyl)acetamide
CID 113177261
N-(4-acetamidophenyl)-2-(N-acetyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113177065
2-(N-acetyl-3-cyanoanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113180919
2-(N-acetyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113168582
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-phenylacetamide
CID 113177016
2-(N-acetyl-3-cyanoanilino)-N-(2,6-diethylphenyl)acetamide
CID 113180930
2-(N,4-diacetylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 113175689
N-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide
CID 113134968
N-(3-cyanophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113180909
3-(3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041774

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 113180974) is 2-(N-acetyl-3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(N2CCCC2)cc1)c1cccc(C#N)c1.
What is the InChIKey of 2-(N-acetyl-3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is KPIIGISXESFYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-16(26)25(20-6-4-5-17(13-20)14-22)15-21(27)23-18-7-9-19(10-8-18)24-11-2-3-12-24/h4-10,13H,2-3,11-12,15H2,1H3,(H,23,27).
What are the key properties of 2-(N-acetyl-3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-(N-acetyl-3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 362.43 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 113180974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).