1-(2-cyanophenyl)-N-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide

C23H26N4O2 — CID 113191874

IUPAC1-(2-cyanophenyl)-N-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CC(=O)N(c3ccccc3C#N)C2)c(C)c1
InChIInChI=1S/C23H26N4O2/c1-4-26(5-2)19-10-11-20(16(3)12-19)25-23(29)18-13-22(28)27(15-18)21-9-7-6-8-17(21)14-24/h6-12,18H,4-5,13,15H2,1-3H3,(H,25,29)
InChIKeyHQAAHGLEWKCQIO-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.70
Rot. Bonds6

About 1-(2-cyanophenyl)-N-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide

1-(2-cyanophenyl)-N-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 113191874) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-N-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-N-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID113191874
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-(2-cyanophenyl)-N-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CC(=O)N(c3ccccc3C#N)C2)c(C)c1
InChIInChI=1S/C23H26N4O2/c1-4-26(5-2)19-10-11-20(16(3)12-19)25-23(29)18-13-22(28)27(15-18)21-9-7-6-8-17(21)14-24/h6-12,18H,4-5,13,15H2,1-3H3,(H,25,29)
InChIKeyHQAAHGLEWKCQIO-UHFFFAOYSA-N
XLogP3.70
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-cyanophenyl)-N-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide 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

1-[4-(diethylamino)-2-methylphenyl]-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191577
N-[4-(diethylamino)-2-methylphenyl]-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186285
N-[4-(diethylamino)-2-methylphenyl]-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186212
(3S)-1-(3-acetamidophenyl)-N-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 92727119
N-(2-bromophenyl)-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191852
1-(2-cyanophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113191800
N-[4-(diethylamino)-2-methylphenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182073
N-(4-chlorophenyl)-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 113191590
N-butan-2-yl-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191706
N-[4-(diethylamino)-2-methylphenyl]-1-(2-methyl-1,3-benzothiazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 108792438
1-[4-(diethylamino)-2-methylphenyl]-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191550
(3S)-N-(2-cyanophenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393260

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-N-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-cyanophenyl)-N-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide (CID 113191874) is 1-(2-cyanophenyl)-N-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-cyanophenyl)-N-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-cyanophenyl)-N-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide is CCN(CC)c1ccc(NC(=O)C2CC(=O)N(c3ccccc3C#N)C2)c(C)c1.
What is the InChIKey of 1-(2-cyanophenyl)-N-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HQAAHGLEWKCQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-4-26(5-2)19-10-11-20(16(3)12-19)25-23(29)18-13-22(28)27(15-18)21-9-7-6-8-17(21)14-24/h6-12,18H,4-5,13,15H2,1-3H3,(H,25,29).
What are the key properties of 1-(2-cyanophenyl)-N-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-cyanophenyl)-N-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-N-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113191874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).