2-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide

C12H19BrN4O3 — CID 114435402

IUPAC2-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide
SMILESCOCCn1ncc(NC(C)C(=O)N(C)C)c(Br)c1=O
InChIInChI=1S/C12H19BrN4O3/c1-8(11(18)16(2)3)15-9-7-14-17(5-6-20-4)12(19)10(9)13/h7-8,15H,5-6H2,1-4H3
InChIKeyZPPKCZCMWMNTST-UHFFFAOYSA-N
MW347.21 g/mol
LogP0.54
Rot. Bonds6

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

2-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide (PubChem CID 114435402) has the molecular formula C12H19BrN4O3 and a molecular weight of 347.21 g/mol. Its IUPAC name is 2-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide
PubChem CID114435402
Molecular FormulaC12H19BrN4O3
Molecular Weight347.21 g/mol
Exact Mass346.06
IUPAC Name2-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide
SMILESCOCCn1ncc(NC(C)C(=O)N(C)C)c(Br)c1=O
InChIInChI=1S/C12H19BrN4O3/c1-8(11(18)16(2)3)15-9-7-14-17(5-6-20-4)12(19)10(9)13/h7-8,15H,5-6H2,1-4H3
InChIKeyZPPKCZCMWMNTST-UHFFFAOYSA-N
XLogP0.54
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-5-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 114439982
2-[[5-bromo-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]amino]-N-(2-methoxyethyl)propanamide
CID 114441570
4-bromo-5-(but-3-yn-2-ylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 114443545
methyl 2-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]acetate
CID 114432347
4-bromo-2-(2-methoxyethyl)-5-(2-methylsulfinylpropylamino)pyridazin-3-one
CID 114442483
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-2-(2-methoxyethyl)-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one
CID 114435565
4-bromo-5-(hex-1-yn-3-ylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 106231430
4-bromo-2-(2-methoxyethyl)-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridazin-3-one
CID 114438798
3-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-N,2,2-trimethylpropanamide
CID 106278313
4-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]butanamide
CID 114433893

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide (CID 114435402) is 2-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide is COCCn1ncc(NC(C)C(=O)N(C)C)c(Br)c1=O.
What is the InChIKey of 2-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide?
The InChIKey is ZPPKCZCMWMNTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O3/c1-8(11(18)16(2)3)15-9-7-14-17(5-6-20-4)12(19)10(9)13/h7-8,15H,5-6H2,1-4H3.
What are the key properties of 2-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide?
2-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide has a molecular weight of 347.21 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 114435402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).