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

C16H23N5O2 — CID 37331728

IUPAC2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(=O)Cn2nc(C)c(C)c(C#N)c2=O)CC1
InChIInChI=1S/C16H23N5O2/c1-4-20-7-5-13(6-8-20)18-15(22)10-21-16(23)14(9-17)11(2)12(3)19-21/h13H,4-8,10H2,1-3H3,(H,18,22)
InChIKeyCWTVDRMXGYLRHC-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.33
Rot. Bonds4

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

2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(1-ethylpiperidin-4-yl)acetamide (PubChem CID 37331728) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(1-ethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(1-ethylpiperidin-4-yl)acetamide
PubChem CID37331728
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(=O)Cn2nc(C)c(C)c(C#N)c2=O)CC1
InChIInChI=1S/C16H23N5O2/c1-4-20-7-5-13(6-8-20)18-15(22)10-21-16(23)14(9-17)11(2)12(3)19-21/h13H,4-8,10H2,1-3H3,(H,18,22)
InChIKeyCWTVDRMXGYLRHC-UHFFFAOYSA-N
XLogP0.33
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-ethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(1-ethylpiperidin-4-yl)acetamide (CID 37331728) is 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(1-ethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(1-ethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(1-ethylpiperidin-4-yl)acetamide is CCN1CCC(NC(=O)Cn2nc(C)c(C)c(C#N)c2=O)CC1.
What is the InChIKey of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(1-ethylpiperidin-4-yl)acetamide?
The InChIKey is CWTVDRMXGYLRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-4-20-7-5-13(6-8-20)18-15(22)10-21-16(23)14(9-17)11(2)12(3)19-21/h13H,4-8,10H2,1-3H3,(H,18,22).
What are the key properties of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(1-ethylpiperidin-4-yl)acetamide?
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(1-ethylpiperidin-4-yl)acetamide has a molecular weight of 317.39 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(1-ethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 37331728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).