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

C21H20N4O2 — CID 135833637

IUPACN-ethyl-N-(2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
SMILESCCN(C(=O)Cn1ncc2c([nH]c3ccccc32)c1=O)c1ccccc1C
InChIInChI=1S/C21H20N4O2/c1-3-24(18-11-7-4-8-14(18)2)19(26)13-25-21(27)20-16(12-22-25)15-9-5-6-10-17(15)23-20/h4-12,23H,3,13H2,1-2H3
InChIKeyYEDQGMVZYXDUSH-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.24
Rot. Bonds4

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

N-ethyl-N-(2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide (PubChem CID 135833637) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-ethyl-N-(2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
PubChem CID135833637
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-ethyl-N-(2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
SMILESCCN(C(=O)Cn1ncc2c([nH]c3ccccc32)c1=O)c1ccccc1C
InChIInChI=1S/C21H20N4O2/c1-3-24(18-11-7-4-8-14(18)2)19(26)13-25-21(27)20-16(12-22-25)15-9-5-6-10-17(15)23-20/h4-12,23H,3,13H2,1-2H3
InChIKeyYEDQGMVZYXDUSH-UHFFFAOYSA-N
XLogP3.24
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
The IUPAC name of N-ethyl-N-(2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide (CID 135833637) is N-ethyl-N-(2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide.
What is the SMILES notation for N-ethyl-N-(2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
The canonical SMILES for N-ethyl-N-(2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide is CCN(C(=O)Cn1ncc2c([nH]c3ccccc32)c1=O)c1ccccc1C.
What is the InChIKey of N-ethyl-N-(2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
The InChIKey is YEDQGMVZYXDUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-3-24(18-11-7-4-8-14(18)2)19(26)13-25-21(27)20-16(12-22-25)15-9-5-6-10-17(15)23-20/h4-12,23H,3,13H2,1-2H3.
What are the key properties of N-ethyl-N-(2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
N-ethyl-N-(2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide has a molecular weight of 360.42 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide is sourced from PubChem (CID 135833637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).