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

C13H21N3O4 — CID 107363295

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide
SMILESCCC(CC)(CO)CNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C13H21N3O4/c1-3-13(4-2,9-17)8-14-11(19)7-16-12(20)6-5-10(18)15-16/h5-6,17H,3-4,7-9H2,1-2H3,(H,14,19)(H,15,18)
InChIKeyVQMQQEIWENPAFK-UHFFFAOYSA-N
MW283.33 g/mol
LogP-0.55
Rot. Bonds7

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

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide (PubChem CID 107363295) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide
PubChem CID107363295
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide
SMILESCCC(CC)(CO)CNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C13H21N3O4/c1-3-13(4-2,9-17)8-14-11(19)7-16-12(20)6-5-10(18)15-16/h5-6,17H,3-4,7-9H2,1-2H3,(H,14,19)(H,15,18)
InChIKeyVQMQQEIWENPAFK-UHFFFAOYSA-N
XLogP-0.55
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxypropyl)acetamide
CID 43500367
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 55082397
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61246490
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide
CID 64555582
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxybutyl)acetamide
CID 64911783
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65031435
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65112300
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66106200
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79252168
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 79252825
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(5-hydroxypentan-2-yl)acetamide
CID 80294857
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-ethyl-4-hydroxybutyl)acetamide
CID 80308270

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide (CID 107363295) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide is CCC(CC)(CO)CNC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide?
The InChIKey is VQMQQEIWENPAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-3-13(4-2,9-17)8-14-11(19)7-16-12(20)6-5-10(18)15-16/h5-6,17H,3-4,7-9H2,1-2H3,(H,14,19)(H,15,18).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide has a molecular weight of 283.33 g/mol, XLogP of -0.55, 7 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-[2-ethyl-2-(hydroxymethyl)butyl]acetamide is sourced from PubChem (CID 107363295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).