5,5-diethyl-1-[(5-methyl-3-pyridinyl)methyl]imidazolidine-2,4-dione

C14H19N3O2 — CID 102879290

IUPAC5,5-diethyl-1-[(5-methyl-3-pyridinyl)methyl]imidazolidine-2,4-dione
SMILESCCC1(CC)C(=O)NC(=O)N1Cc1cncc(C)c1
InChIInChI=1S/C14H19N3O2/c1-4-14(5-2)12(18)16-13(19)17(14)9-11-6-10(3)7-15-8-11/h6-8H,4-5,9H2,1-3H3,(H,16,18,19)
InChIKeyJJYUUHXJHJSJPZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.00
Rot. Bonds4

About 5,5-diethyl-1-[(5-methyl-3-pyridinyl)methyl]imidazolidine-2,4-dione

5,5-diethyl-1-[(5-methyl-3-pyridinyl)methyl]imidazolidine-2,4-dione (PubChem CID 102879290) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5,5-diethyl-1-[(5-methyl-3-pyridinyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-diethyl-1-[(5-methyl-3-pyridinyl)methyl]imidazolidine-2,4-dione
PubChem CID102879290
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5,5-diethyl-1-[(5-methyl-3-pyridinyl)methyl]imidazolidine-2,4-dione
SMILESCCC1(CC)C(=O)NC(=O)N1Cc1cncc(C)c1
InChIInChI=1S/C14H19N3O2/c1-4-14(5-2)12(18)16-13(19)17(14)9-11-6-10(3)7-15-8-11/h6-8H,4-5,9H2,1-3H3,(H,16,18,19)
InChIKeyJJYUUHXJHJSJPZ-UHFFFAOYSA-N
XLogP2.00
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-[(5-methyl-3-pyridinyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-diethyl-1-[(5-methyl-3-pyridinyl)methyl]imidazolidine-2,4-dione (CID 102879290) is 5,5-diethyl-1-[(5-methyl-3-pyridinyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-diethyl-1-[(5-methyl-3-pyridinyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-diethyl-1-[(5-methyl-3-pyridinyl)methyl]imidazolidine-2,4-dione is CCC1(CC)C(=O)NC(=O)N1Cc1cncc(C)c1.
What is the InChIKey of 5,5-diethyl-1-[(5-methyl-3-pyridinyl)methyl]imidazolidine-2,4-dione?
The InChIKey is JJYUUHXJHJSJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-14(5-2)12(18)16-13(19)17(14)9-11-6-10(3)7-15-8-11/h6-8H,4-5,9H2,1-3H3,(H,16,18,19).
What are the key properties of 5,5-diethyl-1-[(5-methyl-3-pyridinyl)methyl]imidazolidine-2,4-dione?
5,5-diethyl-1-[(5-methyl-3-pyridinyl)methyl]imidazolidine-2,4-dione has a molecular weight of 261.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-[(5-methyl-3-pyridinyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 102879290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).