2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]ethyl]acetamide

C14H16N6O6 — CID 5095960

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]ethyl]acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCCNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C14H16N6O6/c21-9-1-3-13(25)19(17-9)7-11(23)15-5-6-16-12(24)8-20-14(26)4-2-10(22)18-20/h1-4H,5-8H2,(H,15,23)(H,16,24)(H,17,21)(H,18,22)
InChIKeyRJCZJAFMJCYDGM-UHFFFAOYSA-N
MW364.32 g/mol
LogP-3.68
Rot. Bonds7

About 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]ethyl]acetamide

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]ethyl]acetamide (PubChem CID 5095960) has the molecular formula C14H16N6O6 and a molecular weight of 364.32 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]ethyl]acetamide
PubChem CID5095960
Molecular FormulaC14H16N6O6
Molecular Weight364.32 g/mol
Exact Mass364.11
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]ethyl]acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCCNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C14H16N6O6/c21-9-1-3-13(25)19(17-9)7-11(23)15-5-6-16-12(24)8-20-14(26)4-2-10(22)18-20/h1-4H,5-8H2,(H,15,23)(H,16,24)(H,17,21)(H,18,22)
InChIKeyRJCZJAFMJCYDGM-UHFFFAOYSA-N
XLogP-3.68
TPSA167.92 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 5-3.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Bis(aminoethylamino) ethyl maleamide
CID 129826976
2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 3595132
1-(2-Aminoethyl)-1,2-dihydropyridazine-3,6-dione
CID 16782851
2-[2-(2,5-Dioxopyrrol-1-yl)ethyl-(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide
CID 23557818
CID 58044780
CID 58044780
N-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide
CID 141361486
N'-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetohydrazide;ethane
CID 143571843
2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide
CID 3809948
2-[[2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetyl]amino]acetic acid
CID 43465285
N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 53517567
N-tert-butyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 53518059
2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione
CID 55023786

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]ethyl]acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]ethyl]acetamide (CID 5095960) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]ethyl]acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]ethyl]acetamide is O=C(Cn1[nH]c(=O)ccc1=O)NCCNC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]ethyl]acetamide?
The InChIKey is RJCZJAFMJCYDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O6/c21-9-1-3-13(25)19(17-9)7-11(23)15-5-6-16-12(24)8-20-14(26)4-2-10(22)18-20/h1-4H,5-8H2,(H,15,23)(H,16,24)(H,17,21)(H,18,22).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]ethyl]acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]ethyl]acetamide has a molecular weight of 364.32 g/mol, XLogP of -3.68, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]ethyl]acetamide is sourced from PubChem (CID 5095960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).