3-[[2-(ethylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione

C11H14N4O2 — CID 62465248

IUPAC3-[[2-(ethylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione
SMILESCCNc1ncccc1CN1C(=O)CNC1=O
InChIInChI=1S/C11H14N4O2/c1-2-12-10-8(4-3-5-13-10)7-15-9(16)6-14-11(15)17/h3-5H,2,6-7H2,1H3,(H,12,13)(H,14,17)
InChIKeyCAHGAXBKWPMIIN-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.57
Rot. Bonds4

About 3-[[2-(ethylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione

3-[[2-(ethylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione (PubChem CID 62465248) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-[[2-(ethylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[2-(ethylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione
PubChem CID62465248
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name3-[[2-(ethylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione
SMILESCCNc1ncccc1CN1C(=O)CNC1=O
InChIInChI=1S/C11H14N4O2/c1-2-12-10-8(4-3-5-13-10)7-15-9(16)6-14-11(15)17/h3-5H,2,6-7H2,1H3,(H,12,13)(H,14,17)
InChIKeyCAHGAXBKWPMIIN-UHFFFAOYSA-N
XLogP0.57
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(methylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione
CID 62465249
1-ethyl-4-[[2-(ethylamino)-3-pyridinyl]methyl]piperazine-2,3-dione
CID 62464538
2-[[2-(ethylamino)-3-pyridinyl]methyl]pyridazin-3-one
CID 55126780
1-[[2-(propylamino)-3-pyridinyl]methyl]piperidine-2,6-dione
CID 55075292
4-[[2-(ethylamino)-3-pyridinyl]methyl]-1-methyl-1,4-diazepan-2-one
CID 102892610
1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-2-one
CID 104512683
[2-(ethylamino)-3-pyridinyl]methanol
CID 62464975
3,4-dimethyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione
CID 79181550
N-ethyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-2-amine
CID 63152815
1-[[2-(ethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81310127
3-[[2-(ethylamino)-3-pyridinyl]methyl]-5-iodo-2-methylpyrimidin-4-one
CID 66342729
1-[[2-(ethylamino)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 55075402

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[[2-(ethylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione (CID 62465248) is 3-[[2-(ethylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[2-(ethylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[[2-(ethylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione is CCNc1ncccc1CN1C(=O)CNC1=O.
What is the InChIKey of 3-[[2-(ethylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione?
The InChIKey is CAHGAXBKWPMIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-2-12-10-8(4-3-5-13-10)7-15-9(16)6-14-11(15)17/h3-5H,2,6-7H2,1H3,(H,12,13)(H,14,17).
What are the key properties of 3-[[2-(ethylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione?
3-[[2-(ethylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione has a molecular weight of 234.26 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 62465248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).