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

C14H17N5O2 — CID 51099156

IUPAC2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-cyanopropan-2-yl)-N-methylacetamide
SMILESCc1nn(CC(=O)N(C)C(C)(C)C#N)c(=O)c(C#N)c1C
InChIInChI=1S/C14H17N5O2/c1-9-10(2)17-19(13(21)11(9)6-15)7-12(20)18(5)14(3,4)8-16/h7H2,1-5H3
InChIKeyNQYUZFDSVJFXPS-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.49
Rot. Bonds3

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

2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-cyanopropan-2-yl)-N-methylacetamide (PubChem CID 51099156) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-cyanopropan-2-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-cyanopropan-2-yl)-N-methylacetamide
PubChem CID51099156
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-cyanopropan-2-yl)-N-methylacetamide
SMILESCc1nn(CC(=O)N(C)C(C)(C)C#N)c(=O)c(C#N)c1C
InChIInChI=1S/C14H17N5O2/c1-9-10(2)17-19(13(21)11(9)6-15)7-12(20)18(5)14(3,4)8-16/h7H2,1-5H3
InChIKeyNQYUZFDSVJFXPS-UHFFFAOYSA-N
XLogP0.49
TPSA102.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.49
H-Bond Donors ≤ 50
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-(2-cyanopropan-2-yl)-N-methylacetamide?
The IUPAC name of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-cyanopropan-2-yl)-N-methylacetamide (CID 51099156) is 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-cyanopropan-2-yl)-N-methylacetamide.
What is the SMILES notation for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-cyanopropan-2-yl)-N-methylacetamide?
The canonical SMILES for 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-cyanopropan-2-yl)-N-methylacetamide is Cc1nn(CC(=O)N(C)C(C)(C)C#N)c(=O)c(C#N)c1C.
What is the InChIKey of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-cyanopropan-2-yl)-N-methylacetamide?
The InChIKey is NQYUZFDSVJFXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9-10(2)17-19(13(21)11(9)6-15)7-12(20)18(5)14(3,4)8-16/h7H2,1-5H3.
What are the key properties of 2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-cyanopropan-2-yl)-N-methylacetamide?
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-cyanopropan-2-yl)-N-methylacetamide has a molecular weight of 287.32 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 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-(2-cyanopropan-2-yl)-N-methylacetamide is sourced from PubChem (CID 51099156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).