2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-phenylpropyl)acetamide

C18H20N4O2 — CID 18202883

IUPAC2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-phenylpropyl)acetamide
SMILESCc1nn(CC(=O)NCC(C)c2ccccc2)c(=O)c(C#N)c1C
InChIInChI=1S/C18H20N4O2/c1-12(15-7-5-4-6-8-15)10-20-17(23)11-22-18(24)16(9-19)13(2)14(3)21-22/h4-8,12H,10-11H2,1-3H3,(H,20,23)
InChIKeyKISSZZHIAWYEIM-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.65
Rot. Bonds5

About 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-phenylpropyl)acetamide

2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-phenylpropyl)acetamide (PubChem CID 18202883) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-phenylpropyl)acetamide
PubChem CID18202883
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-phenylpropyl)acetamide
SMILESCc1nn(CC(=O)NCC(C)c2ccccc2)c(=O)c(C#N)c1C
InChIInChI=1S/C18H20N4O2/c1-12(15-7-5-4-6-8-15)10-20-17(23)11-22-18(24)16(9-19)13(2)14(3)21-22/h4-8,12H,10-11H2,1-3H3,(H,20,23)
InChIKeyKISSZZHIAWYEIM-UHFFFAOYSA-N
XLogP1.65
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-phenylpropyl)acetamide?
The IUPAC name of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-phenylpropyl)acetamide (CID 18202883) is 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-phenylpropyl)acetamide is Cc1nn(CC(=O)NCC(C)c2ccccc2)c(=O)c(C#N)c1C.
What is the InChIKey of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-phenylpropyl)acetamide?
The InChIKey is KISSZZHIAWYEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12(15-7-5-4-6-8-15)10-20-17(23)11-22-18(24)16(9-19)13(2)14(3)21-22/h4-8,12H,10-11H2,1-3H3,(H,20,23).
What are the key properties of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-phenylpropyl)acetamide?
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-phenylpropyl)acetamide has a molecular weight of 324.38 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-phenylpropyl)acetamide is sourced from PubChem (CID 18202883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).