4-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]butanamide

C11H17BrN4O3 — CID 114433893

IUPAC4-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]butanamide
SMILESCOCCn1ncc(NCCCC(N)=O)c(Br)c1=O
InChIInChI=1S/C11H17BrN4O3/c1-19-6-5-16-11(18)10(12)8(7-15-16)14-4-2-3-9(13)17/h7,14H,2-6H2,1H3,(H2,13,17)
InChIKeyZTEMYVRFMIBYBZ-UHFFFAOYSA-N
MW333.19 g/mol
LogP0.33
Rot. Bonds8

About 4-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]butanamide

4-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]butanamide (PubChem CID 114433893) has the molecular formula C11H17BrN4O3 and a molecular weight of 333.19 g/mol. Its IUPAC name is 4-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]butanamide.

Molecular Properties

Compound Name4-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]butanamide
PubChem CID114433893
Molecular FormulaC11H17BrN4O3
Molecular Weight333.19 g/mol
Exact Mass332.05
IUPAC Name4-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]butanamide
SMILESCOCCn1ncc(NCCCC(N)=O)c(Br)c1=O
InChIInChI=1S/C11H17BrN4O3/c1-19-6-5-16-11(18)10(12)8(7-15-16)14-4-2-3-9(13)17/h7,14H,2-6H2,1H3,(H2,13,17)
InChIKeyZTEMYVRFMIBYBZ-UHFFFAOYSA-N
XLogP0.33
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-N-propylpropanamide
CID 114436554
methyl 2-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]acetate
CID 114432347
tert-butyl N-[2-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]ethyl]carbamate
CID 104933125
4-bromo-2-(2-methoxyethyl)-5-(pent-3-ynylamino)pyridazin-3-one
CID 114443473
3-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-N,2,2-trimethylpropanamide
CID 106278313
4-bromo-5-[(2,2-difluoro-3-hydroxypropyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 106177918
4-bromo-2-(2-methoxyethyl)-5-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazin-3-one
CID 102913926
2-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-N-(2-methylpropyl)acetamide
CID 114441419
4-bromo-5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 106248235
4-bromo-2-(cyclopropylmethyl)-5-(3-methoxypropylamino)pyridazin-3-one
CID 114432904
4-bromo-2-(2-methoxyethyl)-5-(2-methylsulfinylpropylamino)pyridazin-3-one
CID 114442483
4-bromo-2-(2-methoxyethyl)-5-[(4-methylthiophen-3-yl)methylamino]pyridazin-3-one
CID 114440270

Frequently Asked Questions

What is the IUPAC name of 4-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]butanamide?
The IUPAC name of 4-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]butanamide (CID 114433893) is 4-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]butanamide.
What is the SMILES notation for 4-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]butanamide?
The canonical SMILES for 4-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]butanamide is COCCn1ncc(NCCCC(N)=O)c(Br)c1=O.
What is the InChIKey of 4-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]butanamide?
The InChIKey is ZTEMYVRFMIBYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O3/c1-19-6-5-16-11(18)10(12)8(7-15-16)14-4-2-3-9(13)17/h7,14H,2-6H2,1H3,(H2,13,17).
What are the key properties of 4-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]butanamide?
4-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]butanamide has a molecular weight of 333.19 g/mol, XLogP of 0.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]butanamide is sourced from PubChem (CID 114433893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).