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

C14H21N3O3 — CID 167843972

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-ethylcyclohexyl)acetamide
SMILESCCC1CCCCC1NC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C14H21N3O3/c1-2-10-5-3-4-6-11(10)15-13(19)9-17-14(20)8-7-12(18)16-17/h7-8,10-11H,2-6,9H2,1H3,(H,15,19)(H,16,18)
InChIKeyXTKZQWPKNRDSQX-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.62
Rot. Bonds4

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

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-ethylcyclohexyl)acetamide (PubChem CID 167843972) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-ethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-ethylcyclohexyl)acetamide
PubChem CID167843972
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-ethylcyclohexyl)acetamide
SMILESCCC1CCCCC1NC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C14H21N3O3/c1-2-10-5-3-4-6-11(10)15-13(19)9-17-14(20)8-7-12(18)16-17/h7-8,10-11H,2-6,9H2,1H3,(H,15,19)(H,16,18)
InChIKeyXTKZQWPKNRDSQX-UHFFFAOYSA-N
XLogP0.62
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-ethylcyclohexyl)acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-ethylcyclohexyl)acetamide (CID 167843972) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-ethylcyclohexyl)acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-ethylcyclohexyl)acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-ethylcyclohexyl)acetamide is CCC1CCCCC1NC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-ethylcyclohexyl)acetamide?
The InChIKey is XTKZQWPKNRDSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-10-5-3-4-6-11(10)15-13(19)9-17-14(20)8-7-12(18)16-17/h7-8,10-11H,2-6,9H2,1H3,(H,15,19)(H,16,18).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-ethylcyclohexyl)acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-ethylcyclohexyl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-ethylcyclohexyl)acetamide is sourced from PubChem (CID 167843972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).