1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-methylpiperazine-2,5-dione

C13H18N4O2 — CID 79942226

IUPAC1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-methylpiperazine-2,5-dione
SMILESCCNc1cccc(CN2CC(=O)N(C)CC2=O)n1
InChIInChI=1S/C13H18N4O2/c1-3-14-11-6-4-5-10(15-11)7-17-9-12(18)16(2)8-13(17)19/h4-6H,3,7-9H2,1-2H3,(H,14,15)
InChIKeyLBJFEVGGMAHVIP-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.31
Rot. Bonds4

About 1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-methylpiperazine-2,5-dione

1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-methylpiperazine-2,5-dione (PubChem CID 79942226) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-methylpiperazine-2,5-dione
PubChem CID79942226
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-methylpiperazine-2,5-dione
SMILESCCNc1cccc(CN2CC(=O)N(C)CC2=O)n1
InChIInChI=1S/C13H18N4O2/c1-3-14-11-6-4-5-10(15-11)7-17-9-12(18)16(2)8-13(17)19/h4-6H,3,7-9H2,1-2H3,(H,14,15)
InChIKeyLBJFEVGGMAHVIP-UHFFFAOYSA-N
XLogP0.31
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-methylpiperazine-2,5-dione?
The IUPAC name of 1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-methylpiperazine-2,5-dione (CID 79942226) is 1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-methylpiperazine-2,5-dione is CCNc1cccc(CN2CC(=O)N(C)CC2=O)n1.
What is the InChIKey of 1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-methylpiperazine-2,5-dione?
The InChIKey is LBJFEVGGMAHVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-14-11-6-4-5-10(15-11)7-17-9-12(18)16(2)8-13(17)19/h4-6H,3,7-9H2,1-2H3,(H,14,15).
What are the key properties of 1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-methylpiperazine-2,5-dione?
1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-methylpiperazine-2,5-dione has a molecular weight of 262.31 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 79942226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).