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

C14H20N4O2 — CID 80636173

IUPAC4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-3-methylpiperazine-2,6-dione
SMILESCCNCc1cnc(N2CC(=O)NC(=O)C2C)c(C)c1
InChIInChI=1S/C14H20N4O2/c1-4-15-6-11-5-9(2)13(16-7-11)18-8-12(19)17-14(20)10(18)3/h5,7,10,15H,4,6,8H2,1-3H3,(H,17,19,20)
InChIKeyHFJKFUGDXIGAHN-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.35
Rot. Bonds4

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

4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-3-methylpiperazine-2,6-dione (PubChem CID 80636173) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-3-methylpiperazine-2,6-dione
PubChem CID80636173
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-3-methylpiperazine-2,6-dione
SMILESCCNCc1cnc(N2CC(=O)NC(=O)C2C)c(C)c1
InChIInChI=1S/C14H20N4O2/c1-4-15-6-11-5-9(2)13(16-7-11)18-8-12(19)17-14(20)10(18)3/h5,7,10,15H,4,6,8H2,1-3H3,(H,17,19,20)
InChIKeyHFJKFUGDXIGAHN-UHFFFAOYSA-N
XLogP0.35
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.35
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-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-3-methylpiperazine-2,6-dione (CID 80636173) is 4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-3-methylpiperazine-2,6-dione is CCNCc1cnc(N2CC(=O)NC(=O)C2C)c(C)c1.
What is the InChIKey of 4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-3-methylpiperazine-2,6-dione?
The InChIKey is HFJKFUGDXIGAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-4-15-6-11-5-9(2)13(16-7-11)18-8-12(19)17-14(20)10(18)3/h5,7,10,15H,4,6,8H2,1-3H3,(H,17,19,20).
What are the key properties of 4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-3-methylpiperazine-2,6-dione?
4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-3-methylpiperazine-2,6-dione has a molecular weight of 276.34 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 80636173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).