2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide

C19H26N4O2 — CID 18100982

IUPAC2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCc1nn(CC(=O)NC2CC3CCC2(C)C3(C)C)c(=O)c(C#N)c1C
InChIInChI=1S/C19H26N4O2/c1-11-12(2)22-23(17(25)14(11)9-20)10-16(24)21-15-8-13-6-7-19(15,5)18(13,3)4/h13,15H,6-8,10H2,1-5H3,(H,21,24)
InChIKeyKQTIIIQKPHRZPK-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.06
Rot. Bonds3

About 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide

2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 18100982) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound Name2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID18100982
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCc1nn(CC(=O)NC2CC3CCC2(C)C3(C)C)c(=O)c(C#N)c1C
InChIInChI=1S/C19H26N4O2/c1-11-12(2)22-23(17(25)14(11)9-20)10-16(24)21-15-8-13-6-7-19(15,5)18(13,3)4/h13,15H,6-8,10H2,1-5H3,(H,21,24)
InChIKeyKQTIIIQKPHRZPK-UHFFFAOYSA-N
XLogP2.06
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.06
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-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (CID 18100982) is 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is Cc1nn(CC(=O)NC2CC3CCC2(C)C3(C)C)c(=O)c(C#N)c1C.
What is the InChIKey of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is KQTIIIQKPHRZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-11-12(2)22-23(17(25)14(11)9-20)10-16(24)21-15-8-13-6-7-19(15,5)18(13,3)4/h13,15H,6-8,10H2,1-5H3,(H,21,24).
What are the key properties of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 342.44 g/mol, XLogP of 2.06, 3 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-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 18100982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).