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

C13H18N4O2 — CID 103182909

IUPAC1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-4-methylpiperazine-2,5-dione
SMILESCc1cnc(CN2CC(=O)N(C)CC2=O)c(C)c1N
InChIInChI=1S/C13H18N4O2/c1-8-4-15-10(9(2)13(8)14)5-17-7-11(18)16(3)6-12(17)19/h4H,5-7H2,1-3H3,(H2,14,15)
InChIKeyJUMDHTBLIKJESU-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.08
Rot. Bonds2

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

1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-4-methylpiperazine-2,5-dione (PubChem CID 103182909) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-4-methylpiperazine-2,5-dione
PubChem CID103182909
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-4-methylpiperazine-2,5-dione
SMILESCc1cnc(CN2CC(=O)N(C)CC2=O)c(C)c1N
InChIInChI=1S/C13H18N4O2/c1-8-4-15-10(9(2)13(8)14)5-17-7-11(18)16(3)6-12(17)19/h4H,5-7H2,1-3H3,(H2,14,15)
InChIKeyJUMDHTBLIKJESU-UHFFFAOYSA-N
XLogP0.08
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-amino-3,5-dimethyl-2-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-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-4-methylpiperazine-2,5-dione?
The IUPAC name of 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-4-methylpiperazine-2,5-dione (CID 103182909) is 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-4-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-4-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-4-methylpiperazine-2,5-dione is Cc1cnc(CN2CC(=O)N(C)CC2=O)c(C)c1N.
What is the InChIKey of 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-4-methylpiperazine-2,5-dione?
The InChIKey is JUMDHTBLIKJESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8-4-15-10(9(2)13(8)14)5-17-7-11(18)16(3)6-12(17)19/h4H,5-7H2,1-3H3,(H2,14,15).
What are the key properties of 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-4-methylpiperazine-2,5-dione?
1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-4-methylpiperazine-2,5-dione has a molecular weight of 262.31 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 103182909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).