3-methyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione

C12H14N4O3 — CID 81244952

IUPAC3-methyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione
SMILESCNc1ccncc1C(=O)N1CC(=O)NC(=O)C1C
InChIInChI=1S/C12H14N4O3/c1-7-11(18)15-10(17)6-16(7)12(19)8-5-14-4-3-9(8)13-2/h3-5,7H,6H2,1-2H3,(H,13,14)(H,15,17,18)
InChIKeyQWRMDAYERCAKOR-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.39
Rot. Bonds2

About 3-methyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione

3-methyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione (PubChem CID 81244952) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-methyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3-methyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione
PubChem CID81244952
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name3-methyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione
SMILESCNc1ccncc1C(=O)N1CC(=O)NC(=O)C1C
InChIInChI=1S/C12H14N4O3/c1-7-11(18)15-10(17)6-16(7)12(19)8-5-14-4-3-9(8)13-2/h3-5,7H,6H2,1-2H3,(H,13,14)(H,15,17,18)
InChIKeyQWRMDAYERCAKOR-UHFFFAOYSA-N
XLogP-0.39
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione?
The IUPAC name of 3-methyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione (CID 81244952) is 3-methyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione.
What is the SMILES notation for 3-methyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione?
The canonical SMILES for 3-methyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione is CNc1ccncc1C(=O)N1CC(=O)NC(=O)C1C.
What is the InChIKey of 3-methyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione?
The InChIKey is QWRMDAYERCAKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-7-11(18)15-10(17)6-16(7)12(19)8-5-14-4-3-9(8)13-2/h3-5,7H,6H2,1-2H3,(H,13,14)(H,15,17,18).
What are the key properties of 3-methyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione?
3-methyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione has a molecular weight of 262.27 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione is sourced from PubChem (CID 81244952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).