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

C12H16N4O4 — CID 154773743

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-oxoazepan-3-yl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NC1CCCCNC1=O
InChIInChI=1S/C12H16N4O4/c17-9-4-5-11(19)16(15-9)7-10(18)14-8-3-1-2-6-13-12(8)20/h4-5,8H,1-3,6-7H2,(H,13,20)(H,14,18)(H,15,17)
InChIKeySEFGZOZEUQRSBX-UHFFFAOYSA-N
MW280.28 g/mol
LogP-1.68
Rot. Bonds3

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

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-oxoazepan-3-yl)acetamide (PubChem CID 154773743) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-oxoazepan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-oxoazepan-3-yl)acetamide
PubChem CID154773743
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-oxoazepan-3-yl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NC1CCCCNC1=O
InChIInChI=1S/C12H16N4O4/c17-9-4-5-11(19)16(15-9)7-10(18)14-8-3-1-2-6-13-12(8)20/h4-5,8H,1-3,6-7H2,(H,13,20)(H,14,18)(H,15,17)
InChIKeySEFGZOZEUQRSBX-UHFFFAOYSA-N
XLogP-1.68
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-Bis(prop-2-enylamino)azepan-2-one
CID 70503238
N-[(2S)-1-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-1-oxobutan-2-yl]acetamide
CID 71294542
3,6-Bis[4-[(2,5-dioxopyrrol-1-yl)amino]butyl]piperazine-2,5-dione
CID 140664694
3,6-Bis[1-[(2,5-dioxopyrrol-1-yl)amino]butyl]piperazine-2,5-dione
CID 145824787
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[2-(3,6-dioxo-1H-pyridazin-2-yl)pentanoylamino]ethyl]pentanamide
CID 4254899
2-azepan-1-yl-N-[2-(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)ethyl]acetamide
CID 50958758
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-oxopiperidin-3-yl)acetamide
CID 63554067
2-(2,5-dioxopyrrol-1-yl)-N-(6-hydrazinyl-6-oxohexyl)acetamide
CID 156026931

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-oxoazepan-3-yl)acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-oxoazepan-3-yl)acetamide (CID 154773743) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-oxoazepan-3-yl)acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-oxoazepan-3-yl)acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-oxoazepan-3-yl)acetamide is O=C(Cn1[nH]c(=O)ccc1=O)NC1CCCCNC1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-oxoazepan-3-yl)acetamide?
The InChIKey is SEFGZOZEUQRSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c17-9-4-5-11(19)16(15-9)7-10(18)14-8-3-1-2-6-13-12(8)20/h4-5,8H,1-3,6-7H2,(H,13,20)(H,14,18)(H,15,17).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-oxoazepan-3-yl)acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-oxoazepan-3-yl)acetamide has a molecular weight of 280.28 g/mol, XLogP of -1.68, 3 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-oxoazepan-3-yl)acetamide is sourced from PubChem (CID 154773743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).