1-butyl-N-(2,4-difluorophenyl)-6-oxopyridazine-3-carboxamide

C15H15F2N3O2 — CID 42161972

IUPAC1-butyl-N-(2,4-difluorophenyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2ccc(F)cc2F)ccc1=O
InChIInChI=1S/C15H15F2N3O2/c1-2-3-8-20-14(21)7-6-13(19-20)15(22)18-12-5-4-10(16)9-11(12)17/h4-7,9H,2-3,8H2,1H3,(H,18,22)
InChIKeySUUZLWYDMYVIOK-UHFFFAOYSA-N
MW307.30 g/mol
LogP2.57
Rot. Bonds5

About 1-butyl-N-(2,4-difluorophenyl)-6-oxopyridazine-3-carboxamide

1-butyl-N-(2,4-difluorophenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 42161972) has the molecular formula C15H15F2N3O2 and a molecular weight of 307.30 g/mol. Its IUPAC name is 1-butyl-N-(2,4-difluorophenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(2,4-difluorophenyl)-6-oxopyridazine-3-carboxamide
PubChem CID42161972
Molecular FormulaC15H15F2N3O2
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Name1-butyl-N-(2,4-difluorophenyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2ccc(F)cc2F)ccc1=O
InChIInChI=1S/C15H15F2N3O2/c1-2-3-8-20-14(21)7-6-13(19-20)15(22)18-12-5-4-10(16)9-11(12)17/h4-7,9H,2-3,8H2,1H3,(H,18,22)
InChIKeySUUZLWYDMYVIOK-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

1-butyl-N-(3,4-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 42161973
1-butyl-N-(2-chloro-4-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 55677510
1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide
CID 25474489
N-(3-acetamido-2-methylphenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 134019234
N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 18081113
N-(4-amino-3,5-dichlorophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 51266108
1-butyl-N-(2-methyl-5-nitrophenyl)-6-oxopyridazine-3-carboxamide
CID 39753441
1-butyl-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 31483011
1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 38166467
1-butyl-6-oxo-N-[4-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55527707
1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55515060
N-(2,4-difluorophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884434

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2,4-difluorophenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-(2,4-difluorophenyl)-6-oxopyridazine-3-carboxamide (CID 42161972) is 1-butyl-N-(2,4-difluorophenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(2,4-difluorophenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(2,4-difluorophenyl)-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)Nc2ccc(F)cc2F)ccc1=O.
What is the InChIKey of 1-butyl-N-(2,4-difluorophenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is SUUZLWYDMYVIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O2/c1-2-3-8-20-14(21)7-6-13(19-20)15(22)18-12-5-4-10(16)9-11(12)17/h4-7,9H,2-3,8H2,1H3,(H,18,22).
What are the key properties of 1-butyl-N-(2,4-difluorophenyl)-6-oxopyridazine-3-carboxamide?
1-butyl-N-(2,4-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-(2,4-difluorophenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 42161972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).