2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-oxopiperidin-3-yl)acetamide

C11H14N4O4 — CID 63554067

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-oxopiperidin-3-yl)acetamide
SMILESO=C1CCC(NC(=O)Cn2[nH]c(=O)ccc2=O)CN1
InChIInChI=1S/C11H14N4O4/c16-8-2-1-7(5-12-8)13-10(18)6-15-11(19)4-3-9(17)14-15/h3-4,7H,1-2,5-6H2,(H,12,16)(H,13,18)(H,14,17)
InChIKeyBAKSLOUSZUMMKW-UHFFFAOYSA-N
MW266.26 g/mol
LogP-2.07
Rot. Bonds3

About 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-oxopiperidin-3-yl)acetamide

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-oxopiperidin-3-yl)acetamide (PubChem CID 63554067) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-oxopiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-oxopiperidin-3-yl)acetamide
PubChem CID63554067
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-oxopiperidin-3-yl)acetamide
SMILESO=C1CCC(NC(=O)Cn2[nH]c(=O)ccc2=O)CN1
InChIInChI=1S/C11H14N4O4/c16-8-2-1-7(5-12-8)13-10(18)6-15-11(19)4-3-9(17)14-15/h3-4,7H,1-2,5-6H2,(H,12,16)(H,13,18)(H,14,17)
InChIKeyBAKSLOUSZUMMKW-UHFFFAOYSA-N
XLogP-2.07
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-2.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,5-dihydrazinyl-1,5-dioxopentan-2-yl)-2-(2,5-dioxopyrrol-1-yl)acetamide
CID 23557834
3,6-Bis[4-[(2,5-dioxopyrrol-1-yl)amino]butyl]piperazine-2,5-dione
CID 140664694
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[2-(3,6-dioxo-1H-pyridazin-2-yl)pentanoylamino]ethyl]pentanamide
CID 4254899
(2S,4S)-4-amino-1-[(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide
CID 56703111
(2S,4S)-4-amino-N-[2-(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)ethyl]-1-methylpyrrolidine-2-carboxamide
CID 56707528
(4R)-4-amino-1-[(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)acetyl]-N,N-diethyl-L-prolinamide
CID 56746825
2-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 63373929
2-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 63600484
N-(2,6-dioxopiperidin-3-yl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 65954066
2-[2-(2-ethyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 66068512
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-oxoazepan-3-yl)acetamide
CID 154773743

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-oxopiperidin-3-yl)acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-oxopiperidin-3-yl)acetamide (CID 63554067) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-oxopiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-oxopiperidin-3-yl)acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-oxopiperidin-3-yl)acetamide is O=C1CCC(NC(=O)Cn2[nH]c(=O)ccc2=O)CN1.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-oxopiperidin-3-yl)acetamide?
The InChIKey is BAKSLOUSZUMMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c16-8-2-1-7(5-12-8)13-10(18)6-15-11(19)4-3-9(17)14-15/h3-4,7H,1-2,5-6H2,(H,12,16)(H,13,18)(H,14,17).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-oxopiperidin-3-yl)acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-oxopiperidin-3-yl)acetamide has a molecular weight of 266.26 g/mol, XLogP of -2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-oxopiperidin-3-yl)acetamide is sourced from PubChem (CID 63554067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).