2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-morpholin-4-ylbut-3-enyl)acetamide

C21H34N4O4 — CID 164914247

IUPAC2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-morpholin-4-ylbut-3-enyl)acetamide
SMILESC=C(CCNC(=O)Cn1nc(C(C)C)c(OCC(C)C)cc1=O)N1CCOCC1
InChIInChI=1S/C21H34N4O4/c1-15(2)14-29-18-12-20(27)25(23-21(18)16(3)4)13-19(26)22-7-6-17(5)24-8-10-28-11-9-24/h12,15-16H,5-11,13-14H2,1-4H3,(H,22,26)
InChIKeyJJBSRSUKLUCFAX-UHFFFAOYSA-N
MW406.53 g/mol
LogP1.75
Rot. Bonds10

About 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-morpholin-4-ylbut-3-enyl)acetamide

2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-morpholin-4-ylbut-3-enyl)acetamide (PubChem CID 164914247) has the molecular formula C21H34N4O4 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-morpholin-4-ylbut-3-enyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-morpholin-4-ylbut-3-enyl)acetamide
PubChem CID164914247
Molecular FormulaC21H34N4O4
Molecular Weight406.53 g/mol
Exact Mass406.26
IUPAC Name2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-morpholin-4-ylbut-3-enyl)acetamide
SMILESC=C(CCNC(=O)Cn1nc(C(C)C)c(OCC(C)C)cc1=O)N1CCOCC1
InChIInChI=1S/C21H34N4O4/c1-15(2)14-29-18-12-20(27)25(23-21(18)16(3)4)13-19(26)22-7-6-17(5)24-8-10-28-11-9-24/h12,15-16H,5-11,13-14H2,1-4H3,(H,22,26)
InChIKeyJJBSRSUKLUCFAX-UHFFFAOYSA-N
XLogP1.75
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-morpholin-4-ylbut-3-enyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-fluorobut-1-en-2-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 164914320
2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(4-piperidin-1-ylbut-1-en-2-yl)acetamide
CID 164914108
tert-butyl N-[4-[[2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetyl]amino]but-1-en-2-yl]carbamate
CID 164914126
tert-butyl N-[3-[[2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetyl]amino]but-3-enyl]carbamate
CID 164914191
N-(4-aminobut-1-en-2-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 164914301

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-morpholin-4-ylbut-3-enyl)acetamide?
The IUPAC name of 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-morpholin-4-ylbut-3-enyl)acetamide (CID 164914247) is 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-morpholin-4-ylbut-3-enyl)acetamide.
What is the SMILES notation for 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-morpholin-4-ylbut-3-enyl)acetamide?
The canonical SMILES for 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-morpholin-4-ylbut-3-enyl)acetamide is C=C(CCNC(=O)Cn1nc(C(C)C)c(OCC(C)C)cc1=O)N1CCOCC1.
What is the InChIKey of 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-morpholin-4-ylbut-3-enyl)acetamide?
The InChIKey is JJBSRSUKLUCFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O4/c1-15(2)14-29-18-12-20(27)25(23-21(18)16(3)4)13-19(26)22-7-6-17(5)24-8-10-28-11-9-24/h12,15-16H,5-11,13-14H2,1-4H3,(H,22,26).
What are the key properties of 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-morpholin-4-ylbut-3-enyl)acetamide?
2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-morpholin-4-ylbut-3-enyl)acetamide has a molecular weight of 406.53 g/mol, XLogP of 1.75, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-morpholin-4-ylbut-3-enyl)acetamide is sourced from PubChem (CID 164914247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).