1-(4-fluorophenyl)-6-oxo-N-(2-pyridin-3-ylethyl)pyridazine-3-carboxamide

C18H15FN4O2 — CID 86979076

IUPAC1-(4-fluorophenyl)-6-oxo-N-(2-pyridin-3-ylethyl)pyridazine-3-carboxamide
SMILESO=C(NCCc1cccnc1)c1ccc(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H15FN4O2/c19-14-3-5-15(6-4-14)23-17(24)8-7-16(22-23)18(25)21-11-9-13-2-1-10-20-12-13/h1-8,10,12H,9,11H2,(H,21,25)
InChIKeyQZAPFCRYKQBBCS-UHFFFAOYSA-N
MW338.34 g/mol
LogP1.74
Rot. Bonds5

About 1-(4-fluorophenyl)-6-oxo-N-(2-pyridin-3-ylethyl)pyridazine-3-carboxamide

1-(4-fluorophenyl)-6-oxo-N-(2-pyridin-3-ylethyl)pyridazine-3-carboxamide (PubChem CID 86979076) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-oxo-N-(2-pyridin-3-ylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-oxo-N-(2-pyridin-3-ylethyl)pyridazine-3-carboxamide
PubChem CID86979076
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name1-(4-fluorophenyl)-6-oxo-N-(2-pyridin-3-ylethyl)pyridazine-3-carboxamide
SMILESO=C(NCCc1cccnc1)c1ccc(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H15FN4O2/c19-14-3-5-15(6-4-14)23-17(24)8-7-16(22-23)18(25)21-11-9-13-2-1-10-20-12-13/h1-8,10,12H,9,11H2,(H,21,25)
InChIKeyQZAPFCRYKQBBCS-UHFFFAOYSA-N
XLogP1.74
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(ethylamino)ethyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide;hydrochloride
CID 119505450
N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55632249
1-(4-fluorophenyl)-6-oxo-N-[(4-phenoxyphenyl)methyl]pyridazine-3-carboxamide
CID 60622520
1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067767
1-(4-fluorophenyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridazine-3-carboxamide
CID 55720325
N-methyl-6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 78852401
N-[2-(4-chlorophenyl)sulfanylethyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55633633
1-(4-fluorophenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-6-oxopyridazine-3-carboxamide
CID 55721576
1-(4-fluorophenyl)-N-[2-(methylamino)propyl]-6-oxopyridazine-3-carboxamide;hydrochloride
CID 120832876
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55950631
N-[[4-(4-fluorophenoxy)phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31966495
5-fluoro-2-nitro-N-(2-pyridin-3-ylethyl)benzamide
CID 60913756

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-oxo-N-(2-pyridin-3-ylethyl)pyridazine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-6-oxo-N-(2-pyridin-3-ylethyl)pyridazine-3-carboxamide (CID 86979076) is 1-(4-fluorophenyl)-6-oxo-N-(2-pyridin-3-ylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-6-oxo-N-(2-pyridin-3-ylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-6-oxo-N-(2-pyridin-3-ylethyl)pyridazine-3-carboxamide is O=C(NCCc1cccnc1)c1ccc(=O)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-6-oxo-N-(2-pyridin-3-ylethyl)pyridazine-3-carboxamide?
The InChIKey is QZAPFCRYKQBBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c19-14-3-5-15(6-4-14)23-17(24)8-7-16(22-23)18(25)21-11-9-13-2-1-10-20-12-13/h1-8,10,12H,9,11H2,(H,21,25).
What are the key properties of 1-(4-fluorophenyl)-6-oxo-N-(2-pyridin-3-ylethyl)pyridazine-3-carboxamide?
1-(4-fluorophenyl)-6-oxo-N-(2-pyridin-3-ylethyl)pyridazine-3-carboxamide has a molecular weight of 338.34 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-oxo-N-(2-pyridin-3-ylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 86979076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).