N-(6-methyl-1,3-benzodioxol-5-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide

C18H20N4O4 — CID 56854370

IUPACN-(6-methyl-1,3-benzodioxol-5-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
SMILESCc1cc2c(cc1NC(=O)Cn1ncc(N3CCCC3)cc1=O)OCO2
InChIInChI=1S/C18H20N4O4/c1-12-6-15-16(26-11-25-15)8-14(12)20-17(23)10-22-18(24)7-13(9-19-22)21-4-2-3-5-21/h6-9H,2-5,10-11H2,1H3,(H,20,23)
InChIKeyPAVBRVQKYGNYBX-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.52
Rot. Bonds4

About N-(6-methyl-1,3-benzodioxol-5-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide

N-(6-methyl-1,3-benzodioxol-5-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide (PubChem CID 56854370) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzodioxol-5-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzodioxol-5-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
PubChem CID56854370
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC NameN-(6-methyl-1,3-benzodioxol-5-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
SMILESCc1cc2c(cc1NC(=O)Cn1ncc(N3CCCC3)cc1=O)OCO2
InChIInChI=1S/C18H20N4O4/c1-12-6-15-16(26-11-25-15)8-14(12)20-17(23)10-22-18(24)7-13(9-19-22)21-4-2-3-5-21/h6-9H,2-5,10-11H2,1H3,(H,20,23)
InChIKeyPAVBRVQKYGNYBX-UHFFFAOYSA-N
XLogP1.52
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-cyclopropyl-2-oxoethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396025
2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396013
2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396028
2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)-N-prop-2-ynylacetamide
CID 114396751
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
CID 72893188
N-(2,5-dimethylphenyl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide
CID 171998269
5-morpholin-4-yl-2-(2-oxopropyl)pyridazin-3-one
CID 1479795
N-(1,3-benzodioxol-5-yl)-1-(1-benzyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 53204022
(3R)-N-(1,3-benzodioxol-5-yl)-1-(1-benzyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 95115739
2-[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide
CID 114396762
2-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114394517
2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 45215332

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzodioxol-5-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(6-methyl-1,3-benzodioxol-5-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide (CID 56854370) is N-(6-methyl-1,3-benzodioxol-5-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(6-methyl-1,3-benzodioxol-5-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(6-methyl-1,3-benzodioxol-5-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide is Cc1cc2c(cc1NC(=O)Cn1ncc(N3CCCC3)cc1=O)OCO2.
What is the InChIKey of N-(6-methyl-1,3-benzodioxol-5-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
The InChIKey is PAVBRVQKYGNYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-12-6-15-16(26-11-25-15)8-14(12)20-17(23)10-22-18(24)7-13(9-19-22)21-4-2-3-5-21/h6-9H,2-5,10-11H2,1H3,(H,20,23).
What are the key properties of N-(6-methyl-1,3-benzodioxol-5-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
N-(6-methyl-1,3-benzodioxol-5-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide has a molecular weight of 356.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzodioxol-5-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 56854370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).