2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide

C13H21N3O4 — CID 66179679

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
SMILESCC(C)CC(C)(O)CNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C13H21N3O4/c1-9(2)6-13(3,20)8-14-11(18)7-16-12(19)5-4-10(17)15-16/h4-5,9,20H,6-8H2,1-3H3,(H,14,18)(H,15,17)
InChIKeyCIFAJBOUEOLCSH-UHFFFAOYSA-N
MW283.33 g/mol
LogP-0.55
Rot. Bonds6

About 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide (PubChem CID 66179679) 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-hydroxy-2,4-dimethylpentyl)acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
PubChem CID66179679
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
SMILESCC(C)CC(C)(O)CNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C13H21N3O4/c1-9(2)6-13(3,20)8-14-11(18)7-16-12(19)5-4-10(17)15-16/h4-5,9,20H,6-8H2,1-3H3,(H,14,18)(H,15,17)
InChIKeyCIFAJBOUEOLCSH-UHFFFAOYSA-N
XLogP-0.55
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
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-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-4-methylpentanoic acid
CID 43170139
(2S)-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-4-methylpentanoic acid
CID 61136938
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61246490
N-(2-cyclopropyl-2-hydroxyethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 63295368
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110150
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-[(1-hydroxycyclohexyl)methyl]acetamide
CID 65113564
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 65114035
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114984
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 65120324
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 65123297
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
CID 65124329

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide (CID 66179679) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide is CC(C)CC(C)(O)CNC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide?
The InChIKey is CIFAJBOUEOLCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-9(2)6-13(3,20)8-14-11(18)7-16-12(19)5-4-10(17)15-16/h4-5,9,20H,6-8H2,1-3H3,(H,14,18)(H,15,17).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide has a molecular weight of 283.33 g/mol, XLogP of -0.55, 6 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-hydroxy-2,4-dimethylpentyl)acetamide is sourced from PubChem (CID 66179679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).