2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[2-(3,6-dioxo-1H-pyridazin-2-yl)pentanoylamino]ethyl]pentanamide

C20H28N6O6 — CID 4254899

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[2-(3,6-dioxo-1H-pyridazin-2-yl)pentanoylamino]ethyl]pentanamide
SMILESCCCC(C(=O)NCCNC(=O)C(CCC)n1[nH]c(=O)ccc1=O)n1[nH]c(=O)ccc1=O
InChIInChI=1S/C20H28N6O6/c1-3-5-13(25-17(29)9-7-15(27)23-25)19(31)21-11-12-22-20(32)14(6-4-2)26-18(30)10-8-16(28)24-26/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,21,31)(H,22,32)(H,23,27)(H,24,28)
InChIKeyWTYUJSAKHUAXLS-UHFFFAOYSA-N
MW448.48 g/mol
LogP-1.00
Rot. Bonds11

About 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[2-(3,6-dioxo-1H-pyridazin-2-yl)pentanoylamino]ethyl]pentanamide

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[2-(3,6-dioxo-1H-pyridazin-2-yl)pentanoylamino]ethyl]pentanamide (PubChem CID 4254899) has the molecular formula C20H28N6O6 and a molecular weight of 448.48 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[2-(3,6-dioxo-1H-pyridazin-2-yl)pentanoylamino]ethyl]pentanamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[2-(3,6-dioxo-1H-pyridazin-2-yl)pentanoylamino]ethyl]pentanamide
PubChem CID4254899
Molecular FormulaC20H28N6O6
Molecular Weight448.48 g/mol
Exact Mass448.21
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[2-(3,6-dioxo-1H-pyridazin-2-yl)pentanoylamino]ethyl]pentanamide
SMILESCCCC(C(=O)NCCNC(=O)C(CCC)n1[nH]c(=O)ccc1=O)n1[nH]c(=O)ccc1=O
InChIInChI=1S/C20H28N6O6/c1-3-5-13(25-17(29)9-7-15(27)23-25)19(31)21-11-12-22-20(32)14(6-4-2)26-18(30)10-8-16(28)24-26/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,21,31)(H,22,32)(H,23,27)(H,24,28)
InChIKeyWTYUJSAKHUAXLS-UHFFFAOYSA-N
XLogP-1.00
TPSA167.92 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 5-1.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 71294542
(E)-4-[(2-amino-2-oxoethyl)-[[(2S)-2-(2-methylpropanoylamino)propanoyl]amino]amino]-N-(3-methylbutyl)-4-oxobut-2-enamide
CID 89822846
(2S)-5-(carbamoylamino)-2-[[(2S)-2-[(2,5-dioxopyrrol-1-yl)amino]-3-methylbutanoyl]amino]-N-methylpentanamide
CID 134398790
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
(2S,4S)-4-amino-1-[(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide
CID 56703111
(2S,4S)-4-amino-N-[2-(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)ethyl]-1-methylpyrrolidine-2-carboxamide
CID 56707528
(4R)-4-amino-1-[(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)acetyl]-N,N-diethyl-L-prolinamide
CID 56746825
N-cyclohexyl-2-(3,6-dioxo-1,2,3,6-tetrahydropyridazin-1-yl)acetamide
CID 60635049
2-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 63373929
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-oxopiperidin-3-yl)acetamide
CID 63554067

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[2-(3,6-dioxo-1H-pyridazin-2-yl)pentanoylamino]ethyl]pentanamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[2-(3,6-dioxo-1H-pyridazin-2-yl)pentanoylamino]ethyl]pentanamide (CID 4254899) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[2-(3,6-dioxo-1H-pyridazin-2-yl)pentanoylamino]ethyl]pentanamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[2-(3,6-dioxo-1H-pyridazin-2-yl)pentanoylamino]ethyl]pentanamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[2-(3,6-dioxo-1H-pyridazin-2-yl)pentanoylamino]ethyl]pentanamide is CCCC(C(=O)NCCNC(=O)C(CCC)n1[nH]c(=O)ccc1=O)n1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[2-(3,6-dioxo-1H-pyridazin-2-yl)pentanoylamino]ethyl]pentanamide?
The InChIKey is WTYUJSAKHUAXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O6/c1-3-5-13(25-17(29)9-7-15(27)23-25)19(31)21-11-12-22-20(32)14(6-4-2)26-18(30)10-8-16(28)24-26/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,21,31)(H,22,32)(H,23,27)(H,24,28).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[2-(3,6-dioxo-1H-pyridazin-2-yl)pentanoylamino]ethyl]pentanamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[2-(3,6-dioxo-1H-pyridazin-2-yl)pentanoylamino]ethyl]pentanamide has a molecular weight of 448.48 g/mol, XLogP of -1.00, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[2-(3,6-dioxo-1H-pyridazin-2-yl)pentanoylamino]ethyl]pentanamide is sourced from PubChem (CID 4254899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).