2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

C15H18N6O4 — CID 18202909

IUPAC2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCCC1(C)NC(=O)N(NC(=O)Cn2nc(C)c(C)c(C#N)c2=O)C1=O
InChIInChI=1S/C15H18N6O4/c1-5-15(4)13(24)21(14(25)17-15)19-11(22)7-20-12(23)10(6-16)8(2)9(3)18-20/h5,7H2,1-4H3,(H,17,25)(H,19,22)
InChIKeyHFBRKNGRMGEKNI-UHFFFAOYSA-N
MW346.35 g/mol
LogP-0.52
Rot. Bonds4

About 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 18202909) has the molecular formula C15H18N6O4 and a molecular weight of 346.35 g/mol. Its IUPAC name is 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound Name2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID18202909
Molecular FormulaC15H18N6O4
Molecular Weight346.35 g/mol
Exact Mass346.14
IUPAC Name2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCCC1(C)NC(=O)N(NC(=O)Cn2nc(C)c(C)c(C#N)c2=O)C1=O
InChIInChI=1S/C15H18N6O4/c1-5-15(4)13(24)21(14(25)17-15)19-11(22)7-20-12(23)10(6-16)8(2)9(3)18-20/h5,7H2,1-4H3,(H,17,25)(H,19,22)
InChIKeyHFBRKNGRMGEKNI-UHFFFAOYSA-N
XLogP-0.52
TPSA137.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 18202909) is 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is CCC1(C)NC(=O)N(NC(=O)Cn2nc(C)c(C)c(C#N)c2=O)C1=O.
What is the InChIKey of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is HFBRKNGRMGEKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O4/c1-5-15(4)13(24)21(14(25)17-15)19-11(22)7-20-12(23)10(6-16)8(2)9(3)18-20/h5,7H2,1-4H3,(H,17,25)(H,19,22).
What are the key properties of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 346.35 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 18202909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).