N-cyano-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide

C9H12N4O3 — CID 79194682

IUPACN-cyano-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCN1CC(=O)N(CCCC(=O)NC#N)C1=O
InChIInChI=1S/C9H12N4O3/c1-12-5-8(15)13(9(12)16)4-2-3-7(14)11-6-10/h2-5H2,1H3,(H,11,14)
InChIKeyHWXNAJKRHFNNQJ-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.74
Rot. Bonds4

About N-cyano-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide

N-cyano-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide (PubChem CID 79194682) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-cyano-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-cyano-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
PubChem CID79194682
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC NameN-cyano-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCN1CC(=O)N(CCCC(=O)NC#N)C1=O
InChIInChI=1S/C9H12N4O3/c1-12-5-8(15)13(9(12)16)4-2-3-7(14)11-6-10/h2-5H2,1H3,(H,11,14)
InChIKeyHWXNAJKRHFNNQJ-UHFFFAOYSA-N
XLogP-0.74
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze N-cyano-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyano-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The IUPAC name of N-cyano-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide (CID 79194682) is N-cyano-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide.
What is the SMILES notation for N-cyano-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The canonical SMILES for N-cyano-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide is CN1CC(=O)N(CCCC(=O)NC#N)C1=O.
What is the InChIKey of N-cyano-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The InChIKey is HWXNAJKRHFNNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-12-5-8(15)13(9(12)16)4-2-3-7(14)11-6-10/h2-5H2,1H3,(H,11,14).
What are the key properties of N-cyano-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
N-cyano-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide has a molecular weight of 224.22 g/mol, XLogP of -0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide is sourced from PubChem (CID 79194682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).