1-ethyl-4-[[2-(ethylamino)-3-pyridinyl]methyl]piperazine-2,3-dione

C14H20N4O2 — CID 62464538

IUPAC1-ethyl-4-[[2-(ethylamino)-3-pyridinyl]methyl]piperazine-2,3-dione
SMILESCCNc1ncccc1CN1CCN(CC)C(=O)C1=O
InChIInChI=1S/C14H20N4O2/c1-3-15-12-11(6-5-7-16-12)10-18-9-8-17(4-2)13(19)14(18)20/h5-7H,3-4,8-10H2,1-2H3,(H,15,16)
InChIKeyVSALUUXFMFQHJL-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.70
Rot. Bonds5

About 1-ethyl-4-[[2-(ethylamino)-3-pyridinyl]methyl]piperazine-2,3-dione

1-ethyl-4-[[2-(ethylamino)-3-pyridinyl]methyl]piperazine-2,3-dione (PubChem CID 62464538) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-ethyl-4-[[2-(ethylamino)-3-pyridinyl]methyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-ethyl-4-[[2-(ethylamino)-3-pyridinyl]methyl]piperazine-2,3-dione
PubChem CID62464538
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-ethyl-4-[[2-(ethylamino)-3-pyridinyl]methyl]piperazine-2,3-dione
SMILESCCNc1ncccc1CN1CCN(CC)C(=O)C1=O
InChIInChI=1S/C14H20N4O2/c1-3-15-12-11(6-5-7-16-12)10-18-9-8-17(4-2)13(19)14(18)20/h5-7H,3-4,8-10H2,1-2H3,(H,15,16)
InChIKeyVSALUUXFMFQHJL-UHFFFAOYSA-N
XLogP0.70
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Propiram
CID 26216
(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
1-(2-Pyridyl)piperazine
CID 94459
Jnj-17203212
CID 11339118
N-(2,4-Difluorophenyl)-4-(2-pyridinyl)-1-piperazineacetamide
CID 3547487
2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-N-(3-fluoro-4-methyl-pyridin-2-ylmethyl)-acetamide
CID 447221
6-((2-((2-((2S)-2-Cyano-1-pyrrolidinyl)-2-oxoethyl)amino)ethyl)amino)-3-pyridinecarbonitrile
CID 9796290
2-Acetamidopyridine
CID 72929
2-(Piperazin-1-yl)pyridine-3-carbonitrile
CID 2737203
1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine
CID 2777786
N,N'-Bis(2-pyridyl)oxalamide
CID 1927420
L-375378
CID 154118

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[2-(ethylamino)-3-pyridinyl]methyl]piperazine-2,3-dione?
The IUPAC name of 1-ethyl-4-[[2-(ethylamino)-3-pyridinyl]methyl]piperazine-2,3-dione (CID 62464538) is 1-ethyl-4-[[2-(ethylamino)-3-pyridinyl]methyl]piperazine-2,3-dione.
What is the SMILES notation for 1-ethyl-4-[[2-(ethylamino)-3-pyridinyl]methyl]piperazine-2,3-dione?
The canonical SMILES for 1-ethyl-4-[[2-(ethylamino)-3-pyridinyl]methyl]piperazine-2,3-dione is CCNc1ncccc1CN1CCN(CC)C(=O)C1=O.
What is the InChIKey of 1-ethyl-4-[[2-(ethylamino)-3-pyridinyl]methyl]piperazine-2,3-dione?
The InChIKey is VSALUUXFMFQHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-15-12-11(6-5-7-16-12)10-18-9-8-17(4-2)13(19)14(18)20/h5-7H,3-4,8-10H2,1-2H3,(H,15,16).
What are the key properties of 1-ethyl-4-[[2-(ethylamino)-3-pyridinyl]methyl]piperazine-2,3-dione?
1-ethyl-4-[[2-(ethylamino)-3-pyridinyl]methyl]piperazine-2,3-dione has a molecular weight of 276.34 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[2-(ethylamino)-3-pyridinyl]methyl]piperazine-2,3-dione is sourced from PubChem (CID 62464538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).