2-[5-bromo-6-oxo-4-(2,4,4-trimethylpentan-2-ylamino)pyridazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide

C20H28BrN5O2 — CID 59574376

IUPAC2-[5-bromo-6-oxo-4-(2,4,4-trimethylpentan-2-ylamino)pyridazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(C)(C)CC(C)(C)Nc1cnn(CC(=O)NCc2ccncc2)c(=O)c1Br
InChIInChI=1S/C20H28BrN5O2/c1-19(2,3)13-20(4,5)25-15-11-24-26(18(28)17(15)21)12-16(27)23-10-14-6-8-22-9-7-14/h6-9,11,25H,10,12-13H2,1-5H3,(H,23,27)
InChIKeyMXMWMVGJRDVPOE-UHFFFAOYSA-N
MW450.38 g/mol
LogP3.34
Rot. Bonds7

About 2-[5-bromo-6-oxo-4-(2,4,4-trimethylpentan-2-ylamino)pyridazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide

2-[5-bromo-6-oxo-4-(2,4,4-trimethylpentan-2-ylamino)pyridazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 59574376) has the molecular formula C20H28BrN5O2 and a molecular weight of 450.38 g/mol. Its IUPAC name is 2-[5-bromo-6-oxo-4-(2,4,4-trimethylpentan-2-ylamino)pyridazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-bromo-6-oxo-4-(2,4,4-trimethylpentan-2-ylamino)pyridazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID59574376
Molecular FormulaC20H28BrN5O2
Molecular Weight450.38 g/mol
Exact Mass449.14
IUPAC Name2-[5-bromo-6-oxo-4-(2,4,4-trimethylpentan-2-ylamino)pyridazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(C)(C)CC(C)(C)Nc1cnn(CC(=O)NCc2ccncc2)c(=O)c1Br
InChIInChI=1S/C20H28BrN5O2/c1-19(2,3)13-20(4,5)25-15-11-24-26(18(28)17(15)21)12-16(27)23-10-14-6-8-22-9-7-14/h6-9,11,25H,10,12-13H2,1-5H3,(H,23,27)
InChIKeyMXMWMVGJRDVPOE-UHFFFAOYSA-N
XLogP3.34
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-bromo-6-oxo-4-(2,4,4-trimethylpentan-2-ylamino)pyridazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-6-oxo-4-(2,4,4-trimethylpentan-2-ylamino)pyridazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[5-bromo-6-oxo-4-(2,4,4-trimethylpentan-2-ylamino)pyridazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide (CID 59574376) is 2-[5-bromo-6-oxo-4-(2,4,4-trimethylpentan-2-ylamino)pyridazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-bromo-6-oxo-4-(2,4,4-trimethylpentan-2-ylamino)pyridazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[5-bromo-6-oxo-4-(2,4,4-trimethylpentan-2-ylamino)pyridazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide is CC(C)(C)CC(C)(C)Nc1cnn(CC(=O)NCc2ccncc2)c(=O)c1Br.
What is the InChIKey of 2-[5-bromo-6-oxo-4-(2,4,4-trimethylpentan-2-ylamino)pyridazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is MXMWMVGJRDVPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28BrN5O2/c1-19(2,3)13-20(4,5)25-15-11-24-26(18(28)17(15)21)12-16(27)23-10-14-6-8-22-9-7-14/h6-9,11,25H,10,12-13H2,1-5H3,(H,23,27).
What are the key properties of 2-[5-bromo-6-oxo-4-(2,4,4-trimethylpentan-2-ylamino)pyridazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide?
2-[5-bromo-6-oxo-4-(2,4,4-trimethylpentan-2-ylamino)pyridazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 450.38 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-6-oxo-4-(2,4,4-trimethylpentan-2-ylamino)pyridazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 59574376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).