2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(2-hydroxyethyl)pentyl]acetamide

C13H21N3O4 — CID 107363284

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(2-hydroxyethyl)pentyl]acetamide
SMILESCCCC(CCO)CNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C13H21N3O4/c1-2-3-10(6-7-17)8-14-12(19)9-16-13(20)5-4-11(18)15-16/h4-5,10,17H,2-3,6-9H2,1H3,(H,14,19)(H,15,18)
InChIKeyWKLDSLKWPKVQKC-UHFFFAOYSA-N
MW283.33 g/mol
LogP-0.55
Rot. Bonds8

About 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(2-hydroxyethyl)pentyl]acetamide

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(2-hydroxyethyl)pentyl]acetamide (PubChem CID 107363284) 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-(2-hydroxyethyl)pentyl]acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(2-hydroxyethyl)pentyl]acetamide
PubChem CID107363284
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(2-hydroxyethyl)pentyl]acetamide
SMILESCCCC(CCO)CNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C13H21N3O4/c1-2-3-10(6-7-17)8-14-12(19)9-16-13(20)5-4-11(18)15-16/h4-5,10,17H,2-3,6-9H2,1H3,(H,14,19)(H,15,18)
InChIKeyWKLDSLKWPKVQKC-UHFFFAOYSA-N
XLogP-0.55
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
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-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 54878794
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 55082190
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61246490
2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 62371293
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62520574
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide
CID 62525782
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide
CID 62527554
6-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-4-methylhexanoic acid
CID 64365942
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2-hydroxycyclohexyl)methyl]acetamide
CID 64929098
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2-hydroxycyclopentyl)methyl]acetamide
CID 65832566
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 65904671
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[[2-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 65926548

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(2-hydroxyethyl)pentyl]acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(2-hydroxyethyl)pentyl]acetamide (CID 107363284) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(2-hydroxyethyl)pentyl]acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(2-hydroxyethyl)pentyl]acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(2-hydroxyethyl)pentyl]acetamide is CCCC(CCO)CNC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(2-hydroxyethyl)pentyl]acetamide?
The InChIKey is WKLDSLKWPKVQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-2-3-10(6-7-17)8-14-12(19)9-16-13(20)5-4-11(18)15-16/h4-5,10,17H,2-3,6-9H2,1H3,(H,14,19)(H,15,18).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(2-hydroxyethyl)pentyl]acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(2-hydroxyethyl)pentyl]acetamide has a molecular weight of 283.33 g/mol, XLogP of -0.55, 8 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-(2-hydroxyethyl)pentyl]acetamide is sourced from PubChem (CID 107363284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).