4-(3-amino-4-methyl-2-pyridinyl)-3-methylpiperazine-2,6-dione

C11H14N4O2 — CID 66063648

IUPAC4-(3-amino-4-methyl-2-pyridinyl)-3-methylpiperazine-2,6-dione
SMILESCc1ccnc(N2CC(=O)NC(=O)C2C)c1N
InChIInChI=1S/C11H14N4O2/c1-6-3-4-13-10(9(6)12)15-5-8(16)14-11(17)7(15)2/h3-4,7H,5,12H2,1-2H3,(H,14,16,17)
InChIKeyCNFGVVAJTPKEKD-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.18
Rot. Bonds1

About 4-(3-amino-4-methyl-2-pyridinyl)-3-methylpiperazine-2,6-dione

4-(3-amino-4-methyl-2-pyridinyl)-3-methylpiperazine-2,6-dione (PubChem CID 66063648) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-(3-amino-4-methyl-2-pyridinyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(3-amino-4-methyl-2-pyridinyl)-3-methylpiperazine-2,6-dione
PubChem CID66063648
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name4-(3-amino-4-methyl-2-pyridinyl)-3-methylpiperazine-2,6-dione
SMILESCc1ccnc(N2CC(=O)NC(=O)C2C)c1N
InChIInChI=1S/C11H14N4O2/c1-6-3-4-13-10(9(6)12)15-5-8(16)14-11(17)7(15)2/h3-4,7H,5,12H2,1-2H3,(H,14,16,17)
InChIKeyCNFGVVAJTPKEKD-UHFFFAOYSA-N
XLogP-0.18
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.18
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 4-(3-amino-4-methyl-2-pyridinyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(3-amino-4-methyl-2-pyridinyl)-3-methylpiperazine-2,6-dione (CID 66063648) is 4-(3-amino-4-methyl-2-pyridinyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(3-amino-4-methyl-2-pyridinyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(3-amino-4-methyl-2-pyridinyl)-3-methylpiperazine-2,6-dione is Cc1ccnc(N2CC(=O)NC(=O)C2C)c1N.
What is the InChIKey of 4-(3-amino-4-methyl-2-pyridinyl)-3-methylpiperazine-2,6-dione?
The InChIKey is CNFGVVAJTPKEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-6-3-4-13-10(9(6)12)15-5-8(16)14-11(17)7(15)2/h3-4,7H,5,12H2,1-2H3,(H,14,16,17).
What are the key properties of 4-(3-amino-4-methyl-2-pyridinyl)-3-methylpiperazine-2,6-dione?
4-(3-amino-4-methyl-2-pyridinyl)-3-methylpiperazine-2,6-dione has a molecular weight of 234.26 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-methyl-2-pyridinyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66063648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).