1-butyl-N-(3,4-difluorophenyl)-6-oxopyridazine-3-carboxamide

C15H15F2N3O2 — CID 42161973

IUPAC1-butyl-N-(3,4-difluorophenyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2ccc(F)c(F)c2)ccc1=O
InChIInChI=1S/C15H15F2N3O2/c1-2-3-8-20-14(21)7-6-13(19-20)15(22)18-10-4-5-11(16)12(17)9-10/h4-7,9H,2-3,8H2,1H3,(H,18,22)
InChIKeyFPZDYKVKHBQDNU-UHFFFAOYSA-N
MW307.30 g/mol
LogP2.57
Rot. Bonds5

About 1-butyl-N-(3,4-difluorophenyl)-6-oxopyridazine-3-carboxamide

1-butyl-N-(3,4-difluorophenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 42161973) has the molecular formula C15H15F2N3O2 and a molecular weight of 307.30 g/mol. Its IUPAC name is 1-butyl-N-(3,4-difluorophenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(3,4-difluorophenyl)-6-oxopyridazine-3-carboxamide
PubChem CID42161973
Molecular FormulaC15H15F2N3O2
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Name1-butyl-N-(3,4-difluorophenyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2ccc(F)c(F)c2)ccc1=O
InChIInChI=1S/C15H15F2N3O2/c1-2-3-8-20-14(21)7-6-13(19-20)15(22)18-10-4-5-11(16)12(17)9-10/h4-7,9H,2-3,8H2,1H3,(H,18,22)
InChIKeyFPZDYKVKHBQDNU-UHFFFAOYSA-N
XLogP2.57
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 18081113
1-[3-(3,4-difluoroanilino)-3-oxopropyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53065999
1-[3-(3,4-difluoroanilino)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066181
1-butyl-N-(2,4-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 42161972
1-butyl-6-oxo-N-[4-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55527707
1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 38166467
1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55515060
N-(4-fluoro-3-nitrophenyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 42162099
N-(4-amino-3,5-dichlorophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 51266108
1-butyl-N-[4-(diethylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 30725741
1-butyl-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-6-oxopyridazine-3-carboxamide
CID 37180456
1-butyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-oxopyridazine-3-carboxamide
CID 45351371

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(3,4-difluorophenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-(3,4-difluorophenyl)-6-oxopyridazine-3-carboxamide (CID 42161973) is 1-butyl-N-(3,4-difluorophenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(3,4-difluorophenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(3,4-difluorophenyl)-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)Nc2ccc(F)c(F)c2)ccc1=O.
What is the InChIKey of 1-butyl-N-(3,4-difluorophenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is FPZDYKVKHBQDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O2/c1-2-3-8-20-14(21)7-6-13(19-20)15(22)18-10-4-5-11(16)12(17)9-10/h4-7,9H,2-3,8H2,1H3,(H,18,22).
What are the key properties of 1-butyl-N-(3,4-difluorophenyl)-6-oxopyridazine-3-carboxamide?
1-butyl-N-(3,4-difluorophenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 307.30 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(3,4-difluorophenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 42161973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).