1-[(6-amino-3-pyridinyl)methyl]-4-methylpiperazine-2,5-dione

C11H14N4O2 — CID 79941578

IUPAC1-[(6-amino-3-pyridinyl)methyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(Cc2ccc(N)nc2)CC1=O
InChIInChI=1S/C11H14N4O2/c1-14-6-11(17)15(7-10(14)16)5-8-2-3-9(12)13-4-8/h2-4H,5-7H2,1H3,(H2,12,13)
InChIKeyADMZGQLWDRKVGX-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.54
Rot. Bonds2

About 1-[(6-amino-3-pyridinyl)methyl]-4-methylpiperazine-2,5-dione

1-[(6-amino-3-pyridinyl)methyl]-4-methylpiperazine-2,5-dione (PubChem CID 79941578) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-[(6-amino-3-pyridinyl)methyl]-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(6-amino-3-pyridinyl)methyl]-4-methylpiperazine-2,5-dione
PubChem CID79941578
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name1-[(6-amino-3-pyridinyl)methyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(Cc2ccc(N)nc2)CC1=O
InChIInChI=1S/C11H14N4O2/c1-14-6-11(17)15(7-10(14)16)5-8-2-3-9(12)13-4-8/h2-4H,5-7H2,1H3,(H2,12,13)
InChIKeyADMZGQLWDRKVGX-UHFFFAOYSA-N
XLogP-0.54
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(6-amino-3-pyridinyl)methyl]-4-methylpiperazine-2,5-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-[(6-amino-3-pyridinyl)methyl]-4-methylpiperazine-2,5-dione?
The IUPAC name of 1-[(6-amino-3-pyridinyl)methyl]-4-methylpiperazine-2,5-dione (CID 79941578) is 1-[(6-amino-3-pyridinyl)methyl]-4-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(6-amino-3-pyridinyl)methyl]-4-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[(6-amino-3-pyridinyl)methyl]-4-methylpiperazine-2,5-dione is CN1CC(=O)N(Cc2ccc(N)nc2)CC1=O.
What is the InChIKey of 1-[(6-amino-3-pyridinyl)methyl]-4-methylpiperazine-2,5-dione?
The InChIKey is ADMZGQLWDRKVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-14-6-11(17)15(7-10(14)16)5-8-2-3-9(12)13-4-8/h2-4H,5-7H2,1H3,(H2,12,13).
What are the key properties of 1-[(6-amino-3-pyridinyl)methyl]-4-methylpiperazine-2,5-dione?
1-[(6-amino-3-pyridinyl)methyl]-4-methylpiperazine-2,5-dione has a molecular weight of 234.26 g/mol, XLogP of -0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-3-pyridinyl)methyl]-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 79941578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).