N-(4-cyano-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide

C12H7FN4O2 — CID 103822749

IUPACN-(4-cyano-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(=O)[nH]n2)c(F)c1
InChIInChI=1S/C12H7FN4O2/c13-8-5-7(6-14)1-2-9(8)15-12(19)10-3-4-11(18)17-16-10/h1-5H,(H,15,19)(H,17,18)
InChIKeyOXIOSWRZJPWTOB-UHFFFAOYSA-N
MW258.21 g/mol
LogP1.03
Rot. Bonds2

About N-(4-cyano-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide

N-(4-cyano-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 103822749) has the molecular formula C12H7FN4O2 and a molecular weight of 258.21 g/mol. Its IUPAC name is N-(4-cyano-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID103822749
Molecular FormulaC12H7FN4O2
Molecular Weight258.21 g/mol
Exact Mass258.06
IUPAC NameN-(4-cyano-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(=O)[nH]n2)c(F)c1
InChIInChI=1S/C12H7FN4O2/c13-8-5-7(6-14)1-2-9(8)15-12(19)10-3-4-11(18)17-16-10/h1-5H,(H,15,19)(H,17,18)
InChIKeyOXIOSWRZJPWTOB-UHFFFAOYSA-N
XLogP1.03
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-2-iodophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103737179
N-(4-cyano-2-fluorophenyl)pyrazine-2-carboxamide
CID 103820427
N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 31456332
N-(4-cyano-2-fluorophenyl)acetamide
CID 11344323
N-(5-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103600396
N-(4-cyano-2-fluorophenyl)-2,6-dihydroxybenzamide
CID 107688649
N-(3,5-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103605944
6-oxo-N-(2,4,5-trichlorophenyl)-1H-pyridazine-3-carboxamide
CID 103603355
5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide
CID 115532718
5-bromo-N-(4-cyano-2-fluorophenyl)-2-iodobenzamide
CID 103820409
2,5-dibromo-N-(4-cyano-2-fluorophenyl)thiophene-3-carboxamide
CID 103820442
3-amino-2-chloro-N-(4-cyano-2-fluorophenyl)benzamide
CID 115930631

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(4-cyano-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 103822749) is N-(4-cyano-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-cyano-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(4-cyano-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide is N#Cc1ccc(NC(=O)c2ccc(=O)[nH]n2)c(F)c1.
What is the InChIKey of N-(4-cyano-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is OXIOSWRZJPWTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN4O2/c13-8-5-7(6-14)1-2-9(8)15-12(19)10-3-4-11(18)17-16-10/h1-5H,(H,15,19)(H,17,18).
What are the key properties of N-(4-cyano-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(4-cyano-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 258.21 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103822749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).