2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide

C21H20N4O2 — CID 135410471

IUPAC2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2ncc3c([nH]c4ccc(C)cc43)c2=O)cc1
InChIInChI=1S/C21H20N4O2/c1-13-3-6-15(7-4-13)10-22-19(26)12-25-21(27)20-17(11-23-25)16-9-14(2)5-8-18(16)24-20/h3-9,11,24H,10,12H2,1-2H3,(H,22,26)
InChIKeyCOZGJQOBBHBDHD-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.81
Rot. Bonds4

About 2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide

2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 135410471) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID135410471
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2ncc3c([nH]c4ccc(C)cc43)c2=O)cc1
InChIInChI=1S/C21H20N4O2/c1-13-3-6-15(7-4-13)10-22-19(26)12-25-21(27)20-17(11-23-25)16-9-14(2)5-8-18(16)24-20/h3-9,11,24H,10,12H2,1-2H3,(H,22,26)
InChIKeyCOZGJQOBBHBDHD-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide (CID 135410471) is 2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)Cn2ncc3c([nH]c4ccc(C)cc43)c2=O)cc1.
What is the InChIKey of 2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is COZGJQOBBHBDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13-3-6-15(7-4-13)10-22-19(26)12-25-21(27)20-17(11-23-25)16-9-14(2)5-8-18(16)24-20/h3-9,11,24H,10,12H2,1-2H3,(H,22,26).
What are the key properties of 2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide?
2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 360.42 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 135410471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).