4-ethyl-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dioxopiperazine-1-carboxamide

C15H20N4O5 — CID 90625137

IUPAC4-ethyl-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dioxopiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCC(O)Cn2ccccc2=O)C(=O)C1=O
InChIInChI=1S/C15H20N4O5/c1-2-17-7-8-19(14(23)13(17)22)15(24)16-9-11(20)10-18-6-4-3-5-12(18)21/h3-6,11,20H,2,7-10H2,1H3,(H,16,24)
InChIKeyRBUHEKSXVLDABC-UHFFFAOYSA-N
MW336.35 g/mol
LogP-1.39
Rot. Bonds5

About 4-ethyl-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dioxopiperazine-1-carboxamide

4-ethyl-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dioxopiperazine-1-carboxamide (PubChem CID 90625137) has the molecular formula C15H20N4O5 and a molecular weight of 336.35 g/mol. Its IUPAC name is 4-ethyl-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dioxopiperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dioxopiperazine-1-carboxamide
PubChem CID90625137
Molecular FormulaC15H20N4O5
Molecular Weight336.35 g/mol
Exact Mass336.14
IUPAC Name4-ethyl-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dioxopiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCC(O)Cn2ccccc2=O)C(=O)C1=O
InChIInChI=1S/C15H20N4O5/c1-2-17-7-8-19(14(23)13(17)22)15(24)16-9-11(20)10-18-6-4-3-5-12(18)21/h3-6,11,20H,2,7-10H2,1H3,(H,16,24)
InChIKeyRBUHEKSXVLDABC-UHFFFAOYSA-N
XLogP-1.39
TPSA111.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dioxopiperazine-1-carboxamide?
The IUPAC name of 4-ethyl-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dioxopiperazine-1-carboxamide (CID 90625137) is 4-ethyl-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dioxopiperazine-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dioxopiperazine-1-carboxamide?
The canonical SMILES for 4-ethyl-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dioxopiperazine-1-carboxamide is CCN1CCN(C(=O)NCC(O)Cn2ccccc2=O)C(=O)C1=O.
What is the InChIKey of 4-ethyl-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dioxopiperazine-1-carboxamide?
The InChIKey is RBUHEKSXVLDABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5/c1-2-17-7-8-19(14(23)13(17)22)15(24)16-9-11(20)10-18-6-4-3-5-12(18)21/h3-6,11,20H,2,7-10H2,1H3,(H,16,24).
What are the key properties of 4-ethyl-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dioxopiperazine-1-carboxamide?
4-ethyl-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dioxopiperazine-1-carboxamide has a molecular weight of 336.35 g/mol, XLogP of -1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dioxopiperazine-1-carboxamide is sourced from PubChem (CID 90625137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).