2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-(4-propan-2-ylphenyl)acetamide

C21H20N4O2 — CID 135833535

IUPAC2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)Cn2ncc3c([nH]c4ccccc43)c2=O)cc1
InChIInChI=1S/C21H20N4O2/c1-13(2)14-7-9-15(10-8-14)23-19(26)12-25-21(27)20-17(11-22-25)16-5-3-4-6-18(16)24-20/h3-11,13,24H,12H2,1-2H3,(H,23,26)
InChIKeyFDAGIIQKLYRWBK-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.64
Rot. Bonds4

About 2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-(4-propan-2-ylphenyl)acetamide

2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 135833535) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID135833535
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)Cn2ncc3c([nH]c4ccccc43)c2=O)cc1
InChIInChI=1S/C21H20N4O2/c1-13(2)14-7-9-15(10-8-14)23-19(26)12-25-21(27)20-17(11-22-25)16-5-3-4-6-18(16)24-20/h3-11,13,24H,12H2,1-2H3,(H,23,26)
InChIKeyFDAGIIQKLYRWBK-UHFFFAOYSA-N
XLogP3.64
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833566
N-(3,4-dimethoxyphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833508
N-(3-acetylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833575
N-(3-chloro-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833616
2-(diethylamino)ethyl 4-[[2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetyl]amino]benzoate
CID 135833561
N-(4-fluorophenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135550934
N-(4-bromo-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833515
N-(2,5-difluorophenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135410384
N-(2,5-dimethoxyphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833532
2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 20891977
2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 50752386
N-(2,3-dimethylcyclohexyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833519

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-(4-propan-2-ylphenyl)acetamide (CID 135833535) is 2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)Cn2ncc3c([nH]c4ccccc43)c2=O)cc1.
What is the InChIKey of 2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is FDAGIIQKLYRWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13(2)14-7-9-15(10-8-14)23-19(26)12-25-21(27)20-17(11-22-25)16-5-3-4-6-18(16)24-20/h3-11,13,24H,12H2,1-2H3,(H,23,26).
What are the key properties of 2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-(4-propan-2-ylphenyl)acetamide?
2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 360.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 135833535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).