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

C12H9FN4O2 — CID 82016159

IUPACN-(2-cyano-4-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C12H9FN4O2/c13-8-1-2-9(7(5-8)6-14)15-12(19)10-3-4-11(18)17-16-10/h1-2,5H,3-4H2,(H,15,19)(H,17,18)
InChIKeyBFIARRYWPFSYMC-UHFFFAOYSA-N
MW260.23 g/mol
LogP0.90
Rot. Bonds2

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

N-(2-cyano-4-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 82016159) has the molecular formula C12H9FN4O2 and a molecular weight of 260.23 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID82016159
Molecular FormulaC12H9FN4O2
Molecular Weight260.23 g/mol
Exact Mass260.07
IUPAC NameN-(2-cyano-4-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C12H9FN4O2/c13-8-1-2-9(7(5-8)6-14)15-12(19)10-3-4-11(18)17-16-10/h1-2,5H,3-4H2,(H,15,19)(H,17,18)
InChIKeyBFIARRYWPFSYMC-UHFFFAOYSA-N
XLogP0.90
TPSA94.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-cyanophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 107800366
4-fluoro-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic acid
CID 43358589
N-(2-cyano-4-fluorophenyl)-2H-triazole-4-carboxamide
CID 82016209
4-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 79946601
3-[(2-cyano-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 39039205
N-(2-cyano-4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 79953680
N-(2-cyano-4-fluorophenyl)-4-iodobenzamide
CID 79952957
N-(2-cyano-4-fluorophenyl)-4-methylbenzamide
CID 79947423
3-chloro-N-(2-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 81484638
2-bromo-5-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 103739886
3-chloro-N-(2-cyano-4-fluorophenyl)-4-hydroxybenzamide
CID 82015912
N-(2-cyano-4-fluorophenyl)furan-3-carboxamide
CID 79954360

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 82016159) is N-(2-cyano-4-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is N#Cc1cc(F)ccc1NC(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is BFIARRYWPFSYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O2/c13-8-1-2-9(7(5-8)6-14)15-12(19)10-3-4-11(18)17-16-10/h1-2,5H,3-4H2,(H,15,19)(H,17,18).
What are the key properties of N-(2-cyano-4-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(2-cyano-4-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 260.23 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 82016159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).