N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C12H9F2N3O4 — CID 43400509

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)=NN1
InChIInChI=1S/C12H9F2N3O4/c13-12(14)20-8-3-1-6(5-9(8)21-12)15-11(19)7-2-4-10(18)17-16-7/h1,3,5H,2,4H2,(H,15,19)(H,17,18)
InChIKeyOVBRVHPIWUPESA-UHFFFAOYSA-N
MW297.22 g/mol
LogP1.21
Rot. Bonds2

About N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 43400509) has the molecular formula C12H9F2N3O4 and a molecular weight of 297.22 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID43400509
Molecular FormulaC12H9F2N3O4
Molecular Weight297.22 g/mol
Exact Mass297.06
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)=NN1
InChIInChI=1S/C12H9F2N3O4/c13-12(14)20-8-3-1-6(5-9(8)21-12)15-11(19)7-2-4-10(18)17-16-7/h1,3,5H,2,4H2,(H,15,19)(H,17,18)
InChIKeyOVBRVHPIWUPESA-UHFFFAOYSA-N
XLogP1.21
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide with MolForge

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Related Compounds

N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
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6-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide
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CID 43397609
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N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide
CID 47177474
4-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 18204016
2-bromo-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-4-carboxamide
CID 103752062
3-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807870
N-(4-methoxy-3-propan-2-ylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110792592
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-sulfanylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 43400509) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)=NN1.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is OVBRVHPIWUPESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O4/c13-12(14)20-8-3-1-6(5-9(8)21-12)15-11(19)7-2-4-10(18)17-16-7/h1,3,5H,2,4H2,(H,15,19)(H,17,18).
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 297.22 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 43400509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).