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

C20H16N4O3 — CID 135833566

IUPACN-(4-acetylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2ncc3c([nH]c4ccccc43)c2=O)cc1
InChIInChI=1S/C20H16N4O3/c1-12(25)13-6-8-14(9-7-13)22-18(26)11-24-20(27)19-16(10-21-24)15-4-2-3-5-17(15)23-19/h2-10,23H,11H2,1H3,(H,22,26)
InChIKeyMJKXYCQQRPGWBV-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.72
Rot. Bonds4

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

N-(4-acetylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide (PubChem CID 135833566) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
PubChem CID135833566
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC NameN-(4-acetylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2ncc3c([nH]c4ccccc43)c2=O)cc1
InChIInChI=1S/C20H16N4O3/c1-12(25)13-6-8-14(9-7-13)22-18(26)11-24-20(27)19-16(10-21-24)15-4-2-3-5-17(15)23-19/h2-10,23H,11H2,1H3,(H,22,26)
InChIKeyMJKXYCQQRPGWBV-UHFFFAOYSA-N
XLogP2.72
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-acetylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)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-(3-acetylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833575
2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 135833535
N-(3,4-dimethoxyphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833508
2-(diethylamino)ethyl 4-[[2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetyl]amino]benzoate
CID 135833561
N-(3-chloro-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833616
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
N-(4-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 857342
N-(2,3-dimethylcyclohexyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833519
N-(3,4-dimethoxyphenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135550944

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide (CID 135833566) is N-(4-acetylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide is CC(=O)c1ccc(NC(=O)Cn2ncc3c([nH]c4ccccc43)c2=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
The InChIKey is MJKXYCQQRPGWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-12(25)13-6-8-14(9-7-13)22-18(26)11-24-20(27)19-16(10-21-24)15-4-2-3-5-17(15)23-19/h2-10,23H,11H2,1H3,(H,22,26).
What are the key properties of N-(4-acetylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
N-(4-acetylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide has a molecular weight of 360.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide is sourced from PubChem (CID 135833566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).