1-[(2-amino-4-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione

C12H16N4O2 — CID 62465068

IUPAC1-[(2-amino-4-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione
SMILESCCN1CCN(Cc2ccnc(N)c2)C(=O)C1=O
InChIInChI=1S/C12H16N4O2/c1-2-15-5-6-16(12(18)11(15)17)8-9-3-4-14-10(13)7-9/h3-4,7H,2,5-6,8H2,1H3,(H2,13,14)
InChIKeyUGPWWAMQNATZKY-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.15
Rot. Bonds3

About 1-[(2-amino-4-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione

1-[(2-amino-4-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione (PubChem CID 62465068) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-[(2-amino-4-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-[(2-amino-4-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione
PubChem CID62465068
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name1-[(2-amino-4-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione
SMILESCCN1CCN(Cc2ccnc(N)c2)C(=O)C1=O
InChIInChI=1S/C12H16N4O2/c1-2-15-5-6-16(12(18)11(15)17)8-9-3-4-14-10(13)7-9/h3-4,7H,2,5-6,8H2,1H3,(H2,13,14)
InChIKeyUGPWWAMQNATZKY-UHFFFAOYSA-N
XLogP-0.15
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(2-amino-4-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-4-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione?
The IUPAC name of 1-[(2-amino-4-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione (CID 62465068) is 1-[(2-amino-4-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione.
What is the SMILES notation for 1-[(2-amino-4-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione?
The canonical SMILES for 1-[(2-amino-4-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione is CCN1CCN(Cc2ccnc(N)c2)C(=O)C1=O.
What is the InChIKey of 1-[(2-amino-4-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione?
The InChIKey is UGPWWAMQNATZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-2-15-5-6-16(12(18)11(15)17)8-9-3-4-14-10(13)7-9/h3-4,7H,2,5-6,8H2,1H3,(H2,13,14).
What are the key properties of 1-[(2-amino-4-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione?
1-[(2-amino-4-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione has a molecular weight of 248.29 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-4-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione is sourced from PubChem (CID 62465068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).