3-[3-(4-methyl-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione

C12H15N3O3 — CID 132970535

IUPAC3-[3-(4-methyl-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione
SMILESCc1ccn(CCCN2C(=O)CNC2=O)c(=O)c1
InChIInChI=1S/C12H15N3O3/c1-9-3-6-14(10(16)7-9)4-2-5-15-11(17)8-13-12(15)18/h3,6-7H,2,4-5,8H2,1H3,(H,13,18)
InChIKeyVPULMOLVCJYKNU-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.10
Rot. Bonds4

About 3-[3-(4-methyl-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione

3-[3-(4-methyl-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione (PubChem CID 132970535) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-[3-(4-methyl-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(4-methyl-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione
PubChem CID132970535
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name3-[3-(4-methyl-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione
SMILESCc1ccn(CCCN2C(=O)CNC2=O)c(=O)c1
InChIInChI=1S/C12H15N3O3/c1-9-3-6-14(10(16)7-9)4-2-5-15-11(17)8-13-12(15)18/h3,6-7H,2,4-5,8H2,1H3,(H,13,18)
InChIKeyVPULMOLVCJYKNU-UHFFFAOYSA-N
XLogP0.10
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methyl-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[3-(4-methyl-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione (CID 132970535) is 3-[3-(4-methyl-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(4-methyl-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(4-methyl-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione is Cc1ccn(CCCN2C(=O)CNC2=O)c(=O)c1.
What is the InChIKey of 3-[3-(4-methyl-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione?
The InChIKey is VPULMOLVCJYKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-9-3-6-14(10(16)7-9)4-2-5-15-11(17)8-13-12(15)18/h3,6-7H,2,4-5,8H2,1H3,(H,13,18).
What are the key properties of 3-[3-(4-methyl-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione?
3-[3-(4-methyl-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione has a molecular weight of 249.27 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methyl-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 132970535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).