N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C13H12N4O4 — CID 108740284

IUPACN-(4-acetyl-3-cyano-5-methylfuran-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(=O)c1c(C)oc(NC(=O)C2=NNC(=O)CC2)c1C#N
InChIInChI=1S/C13H12N4O4/c1-6(18)11-7(2)21-13(8(11)5-14)15-12(20)9-3-4-10(19)17-16-9/h3-4H2,1-2H3,(H,15,20)(H,17,19)
InChIKeyFFYLVRNQODLFLX-UHFFFAOYSA-N
MW288.26 g/mol
LogP0.87
Rot. Bonds3

About N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 108740284) has the molecular formula C13H12N4O4 and a molecular weight of 288.26 g/mol. Its IUPAC name is N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-3-cyano-5-methylfuran-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID108740284
Molecular FormulaC13H12N4O4
Molecular Weight288.26 g/mol
Exact Mass288.09
IUPAC NameN-(4-acetyl-3-cyano-5-methylfuran-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(=O)c1c(C)oc(NC(=O)C2=NNC(=O)CC2)c1C#N
InChIInChI=1S/C13H12N4O4/c1-6(18)11-7(2)21-13(8(11)5-14)15-12(20)9-3-4-10(19)17-16-9/h3-4H2,1-2H3,(H,15,20)(H,17,19)
InChIKeyFFYLVRNQODLFLX-UHFFFAOYSA-N
XLogP0.87
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 108740284) is N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CC(=O)c1c(C)oc(NC(=O)C2=NNC(=O)CC2)c1C#N.
What is the InChIKey of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is FFYLVRNQODLFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4/c1-6(18)11-7(2)21-13(8(11)5-14)15-12(20)9-3-4-10(19)17-16-9/h3-4H2,1-2H3,(H,15,20)(H,17,19).
What are the key properties of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 288.26 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 108740284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).