N-(3,5-difluorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

C18H13F2N3O2 — CID 17397569

IUPACN-(3,5-difluorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2cc(F)cc(F)c2)nn1-c1ccccc1
InChIInChI=1S/C18H13F2N3O2/c1-11-7-16(24)17(22-23(11)15-5-3-2-4-6-15)18(25)21-14-9-12(19)8-13(20)10-14/h2-10H,1H3,(H,21,25)
InChIKeyFZMGHPYKHDEDHY-UHFFFAOYSA-N
MW341.32 g/mol
LogP3.07
Rot. Bonds3

About N-(3,5-difluorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

N-(3,5-difluorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 17397569) has the molecular formula C18H13F2N3O2 and a molecular weight of 341.32 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID17397569
Molecular FormulaC18H13F2N3O2
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC NameN-(3,5-difluorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2cc(F)cc(F)c2)nn1-c1ccccc1
InChIInChI=1S/C18H13F2N3O2/c1-11-7-16(24)17(22-23(11)15-5-3-2-4-6-15)18(25)21-14-9-12(19)8-13(20)10-14/h2-10H,1H3,(H,21,25)
InChIKeyFZMGHPYKHDEDHY-UHFFFAOYSA-N
XLogP3.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (CID 17397569) is N-(3,5-difluorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2cc(F)cc(F)c2)nn1-c1ccccc1.
What is the InChIKey of N-(3,5-difluorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is FZMGHPYKHDEDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O2/c1-11-7-16(24)17(22-23(11)15-5-3-2-4-6-15)18(25)21-14-9-12(19)8-13(20)10-14/h2-10H,1H3,(H,21,25).
What are the key properties of N-(3,5-difluorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
N-(3,5-difluorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 341.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 17397569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).