2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-2-methylpropanamide

C12H20BrN5O2 — CID 114434932

IUPAC2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-2-methylpropanamide
SMILESCN(C)CCn1ncc(NC(C)(C)C(N)=O)c(Br)c1=O
InChIInChI=1S/C12H20BrN5O2/c1-12(2,11(14)20)16-8-7-15-18(6-5-17(3)4)10(19)9(8)13/h7,16H,5-6H2,1-4H3,(H2,14,20)
InChIKeyKIDKNABPABYDMR-UHFFFAOYSA-N
MW346.23 g/mol
LogP0.24
Rot. Bonds6

About 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-2-methylpropanamide

2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-2-methylpropanamide (PubChem CID 114434932) has the molecular formula C12H20BrN5O2 and a molecular weight of 346.23 g/mol. Its IUPAC name is 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-2-methylpropanamide
PubChem CID114434932
Molecular FormulaC12H20BrN5O2
Molecular Weight346.23 g/mol
Exact Mass345.08
IUPAC Name2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-2-methylpropanamide
SMILESCN(C)CCn1ncc(NC(C)(C)C(N)=O)c(Br)c1=O
InChIInChI=1S/C12H20BrN5O2/c1-12(2,11(14)20)16-8-7-15-18(6-5-17(3)4)10(19)9(8)13/h7,16H,5-6H2,1-4H3,(H2,14,20)
InChIKeyKIDKNABPABYDMR-UHFFFAOYSA-N
XLogP0.24
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-2-methylpropanamide
CID 114434933
methyl 2-[4-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-5-bromo-6-oxopyridazin-1-yl]acetate
CID 114434936
5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114446884
4-bromo-2-[2-(dimethylamino)ethyl]-5-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridazin-3-one
CID 107866240
5-[3-(aminomethyl)pentan-3-ylamino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114445301
2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N,N-dimethylacetamide
CID 114433019
methyl 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]acetate
CID 114432337
4-bromo-5-(2-cyclopropylethylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114439471
4-bromo-2-[2-(dimethylamino)ethyl]-5-(pentan-3-ylamino)pyridazin-3-one
CID 114431621
5-(4-aminoanilino)-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114444754
3-[[5-bromo-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]amino]-2,2-dimethylpropanamide
CID 106277890
5-[(3-aminocyclobutyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114443949

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-2-methylpropanamide?
The IUPAC name of 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-2-methylpropanamide (CID 114434932) is 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-2-methylpropanamide.
What is the SMILES notation for 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-2-methylpropanamide?
The canonical SMILES for 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-2-methylpropanamide is CN(C)CCn1ncc(NC(C)(C)C(N)=O)c(Br)c1=O.
What is the InChIKey of 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-2-methylpropanamide?
The InChIKey is KIDKNABPABYDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN5O2/c1-12(2,11(14)20)16-8-7-15-18(6-5-17(3)4)10(19)9(8)13/h7,16H,5-6H2,1-4H3,(H2,14,20).
What are the key properties of 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-2-methylpropanamide?
2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-2-methylpropanamide has a molecular weight of 346.23 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-2-methylpropanamide is sourced from PubChem (CID 114434932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).