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

C21H30N4O2 — CID 35300602

IUPAC2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N,N-dicyclohexylacetamide
SMILESCc1nn(CC(=O)N(C2CCCCC2)C2CCCCC2)c(=O)c(C#N)c1C
InChIInChI=1S/C21H30N4O2/c1-15-16(2)23-24(21(27)19(15)13-22)14-20(26)25(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h17-18H,3-12,14H2,1-2H3
InChIKeyDZJCIBCRDBEQOB-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.23
Rot. Bonds4

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

2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N,N-dicyclohexylacetamide (PubChem CID 35300602) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N,N-dicyclohexylacetamide.

Molecular Properties

Compound Name2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N,N-dicyclohexylacetamide
PubChem CID35300602
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N,N-dicyclohexylacetamide
SMILESCc1nn(CC(=O)N(C2CCCCC2)C2CCCCC2)c(=O)c(C#N)c1C
InChIInChI=1S/C21H30N4O2/c1-15-16(2)23-24(21(27)19(15)13-22)14-20(26)25(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h17-18H,3-12,14H2,1-2H3
InChIKeyDZJCIBCRDBEQOB-UHFFFAOYSA-N
XLogP3.23
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.23
H-Bond Donors ≤ 50
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,N-dicyclohexylacetamide?
The IUPAC name of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N,N-dicyclohexylacetamide (CID 35300602) is 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N,N-dicyclohexylacetamide.
What is the SMILES notation for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N,N-dicyclohexylacetamide?
The canonical SMILES for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N,N-dicyclohexylacetamide is Cc1nn(CC(=O)N(C2CCCCC2)C2CCCCC2)c(=O)c(C#N)c1C.
What is the InChIKey of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N,N-dicyclohexylacetamide?
The InChIKey is DZJCIBCRDBEQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-15-16(2)23-24(21(27)19(15)13-22)14-20(26)25(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h17-18H,3-12,14H2,1-2H3.
What are the key properties of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N,N-dicyclohexylacetamide?
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N,N-dicyclohexylacetamide has a molecular weight of 370.50 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 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,N-dicyclohexylacetamide is sourced from PubChem (CID 35300602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).