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

C13H19N3O3 — CID 167742956

IUPACN-cyclohexyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide
SMILESCN(C(=O)Cn1[nH]c(=O)ccc1=O)C1CCCCC1
InChIInChI=1S/C13H19N3O3/c1-15(10-5-3-2-4-6-10)13(19)9-16-12(18)8-7-11(17)14-16/h7-8,10H,2-6,9H2,1H3,(H,14,17)
InChIKeyNOACDNAZLVUBBO-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.33
Rot. Bonds3

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

N-cyclohexyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide (PubChem CID 167742956) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-cyclohexyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide
PubChem CID167742956
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-cyclohexyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide
SMILESCN(C(=O)Cn1[nH]c(=O)ccc1=O)C1CCCCC1
InChIInChI=1S/C13H19N3O3/c1-15(10-5-3-2-4-6-10)13(19)9-16-12(18)8-7-11(17)14-16/h7-8,10H,2-6,9H2,1H3,(H,14,17)
InChIKeyNOACDNAZLVUBBO-UHFFFAOYSA-N
XLogP0.33
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-{2-[(2R*,6R*)-2-allyl-6-methyl-3,6-dihydropyridin-1(2H)-yl]-2-oxoethyl}-1,2-dihydropyridazine-3,6-dione
CID 56701176
1-(2-Amino-1-methylbutyl)-1,2-dihydro-3,6-pyridazinedione
CID 16782849
N-cyclopropyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethylacetamide
CID 45807909
2-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 45819178
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 53507063
2-(2-oxo-2-piperidin-1-ylethyl)-1H-pyridazine-3,6-dione
CID 60634761
1-[2-(Azepan-1-yl)-2-oxoethyl]-1,2,3,6-tetrahydropyridazine-3,6-dione
CID 60634918
N-cyclohexyl-2-(3,6-dioxo-1,2,3,6-tetrahydropyridazin-1-yl)acetamide
CID 60635049
N-cyclopentyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 60636998
N-cyclohexyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 61582147
1-Cyclohexyl-1,2-dihydropyridazine-3,6-dione
CID 71385091
N-cyclohexyl-2-(3,6-dioxopyridazin-1-ium-1-yl)acetamide
CID 71628665

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide (CID 167742956) is N-cyclohexyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide is CN(C(=O)Cn1[nH]c(=O)ccc1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide?
The InChIKey is NOACDNAZLVUBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-15(10-5-3-2-4-6-10)13(19)9-16-12(18)8-7-11(17)14-16/h7-8,10H,2-6,9H2,1H3,(H,14,17).
What are the key properties of N-cyclohexyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide?
N-cyclohexyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide has a molecular weight of 265.31 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide is sourced from PubChem (CID 167742956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).