2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide

C13H19N3O4 — CID 102634958

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide
SMILESCN(C(=O)Cn1[nH]c(=O)ccc1=O)C1CCCCC1O
InChIInChI=1S/C13H19N3O4/c1-15(9-4-2-3-5-10(9)17)13(20)8-16-12(19)7-6-11(18)14-16/h6-7,9-10,17H,2-5,8H2,1H3,(H,14,18)
InChIKeyQIXMJYKXNAJYAQ-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.70
Rot. Bonds3

About 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide (PubChem CID 102634958) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide
PubChem CID102634958
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide
SMILESCN(C(=O)Cn1[nH]c(=O)ccc1=O)C1CCCCC1O
InChIInChI=1S/C13H19N3O4/c1-15(9-4-2-3-5-10(9)17)13(20)8-16-12(19)7-6-11(18)14-16/h6-7,9-10,17H,2-5,8H2,1H3,(H,14,18)
InChIKeyQIXMJYKXNAJYAQ-UHFFFAOYSA-N
XLogP-0.70
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxycyclohexyl)acetamide
CID 43389169
2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 43415770
2-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 43572846
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxycyclohexyl)acetamide
CID 55063979
2-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 60956364
N-cyclohexyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 61582147
2-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 66052369
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 94414143
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 94414145
4-amino-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one
CID 103995222
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxycycloheptyl)acetamide
CID 104282336
2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 107224612

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide (CID 102634958) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide is CN(C(=O)Cn1[nH]c(=O)ccc1=O)C1CCCCC1O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide?
The InChIKey is QIXMJYKXNAJYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-15(9-4-2-3-5-10(9)17)13(20)8-16-12(19)7-6-11(18)14-16/h6-7,9-10,17H,2-5,8H2,1H3,(H,14,18).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide has a molecular weight of 281.31 g/mol, XLogP of -0.70, 3 rotatable bonds, 2 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-(2-hydroxycyclohexyl)-N-methylacetamide is sourced from PubChem (CID 102634958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).