3-methyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione

C11H14N4O2 — CID 113424128

IUPAC3-methyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione
SMILESCNc1cncc(N2CC(=O)NC(=O)C2C)c1
InChIInChI=1S/C11H14N4O2/c1-7-11(17)14-10(16)6-15(7)9-3-8(12-2)4-13-5-9/h3-5,7,12H,6H2,1-2H3,(H,14,16,17)
InChIKeyIQOGHNOEIWWHDX-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.03
Rot. Bonds2

About 3-methyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione

3-methyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione (PubChem CID 113424128) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-methyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3-methyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione
PubChem CID113424128
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name3-methyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione
SMILESCNc1cncc(N2CC(=O)NC(=O)C2C)c1
InChIInChI=1S/C11H14N4O2/c1-7-11(17)14-10(16)6-15(7)9-3-8(12-2)4-13-5-9/h3-5,7,12H,6H2,1-2H3,(H,14,16,17)
InChIKeyIQOGHNOEIWWHDX-UHFFFAOYSA-N
XLogP-0.03
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione
CID 113424129
3-methyl-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione
CID 80851054
4-(2-chloro-4-pyridinyl)-3-methylpiperazine-2,6-dione
CID 102824283
4-(4-bromophenyl)-3-methylpiperazine-2,6-dione
CID 82346677
N-methyl-5-(2-methylpiperidin-1-yl)pyridin-3-amine
CID 104532444
4-[2-amino-6-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
CID 80850978
4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
CID 80851301
4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]-3-methylpiperazine-2,6-dione
CID 83126993
4-(6-acetyl-3-pyridinyl)-3-methylpiperazine-2,6-dione
CID 83119029
4-[5-bromo-6-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
CID 114072480
N-methyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine
CID 104533834
3-methyl-4-(6-propanoyl-3-pyridinyl)piperazine-2,6-dione
CID 112583695

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione?
The IUPAC name of 3-methyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione (CID 113424128) is 3-methyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione.
What is the SMILES notation for 3-methyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione?
The canonical SMILES for 3-methyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione is CNc1cncc(N2CC(=O)NC(=O)C2C)c1.
What is the InChIKey of 3-methyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione?
The InChIKey is IQOGHNOEIWWHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-7-11(17)14-10(16)6-15(7)9-3-8(12-2)4-13-5-9/h3-5,7,12H,6H2,1-2H3,(H,14,16,17).
What are the key properties of 3-methyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione?
3-methyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione has a molecular weight of 234.26 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[5-(methylamino)-3-pyridinyl]piperazine-2,6-dione is sourced from PubChem (CID 113424128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).