N-cyclohexyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide

C19H22N4O2 — CID 53054967

IUPACN-cyclohexyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide
SMILESCn1ncc2c3ccccc3n(CC(=O)NC3CCCCC3)c2c1=O
InChIInChI=1S/C19H22N4O2/c1-22-19(25)18-15(11-20-22)14-9-5-6-10-16(14)23(18)12-17(24)21-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8,12H2,1H3,(H,21,24)
InChIKeyAKRKJGFSGLLRTO-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.34
Rot. Bonds3

About N-cyclohexyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide

N-cyclohexyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide (PubChem CID 53054967) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide
PubChem CID53054967
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-cyclohexyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide
SMILESCn1ncc2c3ccccc3n(CC(=O)NC3CCCCC3)c2c1=O
InChIInChI=1S/C19H22N4O2/c1-22-19(25)18-15(11-20-22)14-9-5-6-10-16(14)23(18)12-17(24)21-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8,12H2,1H3,(H,21,24)
InChIKeyAKRKJGFSGLLRTO-UHFFFAOYSA-N
XLogP2.34
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide (CID 53054967) is N-cyclohexyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide is Cn1ncc2c3ccccc3n(CC(=O)NC3CCCCC3)c2c1=O.
What is the InChIKey of N-cyclohexyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide?
The InChIKey is AKRKJGFSGLLRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-22-19(25)18-15(11-20-22)14-9-5-6-10-16(14)23(18)12-17(24)21-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8,12H2,1H3,(H,21,24).
What are the key properties of N-cyclohexyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide?
N-cyclohexyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide is sourced from PubChem (CID 53054967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).