3-[3-(5-amino-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione

C11H14N4O3 — CID 43259678

IUPAC3-[3-(5-amino-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione
SMILESNc1ccc(=O)n(CCCN2C(=O)CNC2=O)c1
InChIInChI=1S/C11H14N4O3/c12-8-2-3-9(16)14(7-8)4-1-5-15-10(17)6-13-11(15)18/h2-3,7H,1,4-6,12H2,(H,13,18)
InChIKeyRLLQNGIVQKMTTD-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.63
Rot. Bonds4

About 3-[3-(5-amino-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione

3-[3-(5-amino-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione (PubChem CID 43259678) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 3-[3-(5-amino-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(5-amino-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione
PubChem CID43259678
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name3-[3-(5-amino-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione
SMILESNc1ccc(=O)n(CCCN2C(=O)CNC2=O)c1
InChIInChI=1S/C11H14N4O3/c12-8-2-3-9(16)14(7-8)4-1-5-15-10(17)6-13-11(15)18/h2-3,7H,1,4-6,12H2,(H,13,18)
InChIKeyRLLQNGIVQKMTTD-UHFFFAOYSA-N
XLogP-0.63
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(5-amino-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[3-(5-amino-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione (CID 43259678) is 3-[3-(5-amino-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(5-amino-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(5-amino-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione is Nc1ccc(=O)n(CCCN2C(=O)CNC2=O)c1.
What is the InChIKey of 3-[3-(5-amino-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione?
The InChIKey is RLLQNGIVQKMTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c12-8-2-3-9(16)14(7-8)4-1-5-15-10(17)6-13-11(15)18/h2-3,7H,1,4-6,12H2,(H,13,18).
What are the key properties of 3-[3-(5-amino-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione?
3-[3-(5-amino-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione has a molecular weight of 250.26 g/mol, XLogP of -0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-amino-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 43259678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).