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

C18H13F2N3O2 — CID 1481279

IUPAC1-(3,4-difluorophenyl)-N-(2-methylphenyl)-4-oxopyridazine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1nn(-c2ccc(F)c(F)c2)ccc1=O
InChIInChI=1S/C18H13F2N3O2/c1-11-4-2-3-5-15(11)21-18(25)17-16(24)8-9-23(22-17)12-6-7-13(19)14(20)10-12/h2-10H,1H3,(H,21,25)
InChIKeyMAMYTBUPJOICHI-UHFFFAOYSA-N
MW341.32 g/mol
LogP3.07
Rot. Bonds3

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

1-(3,4-difluorophenyl)-N-(2-methylphenyl)-4-oxopyridazine-3-carboxamide (PubChem CID 1481279) has the molecular formula C18H13F2N3O2 and a molecular weight of 341.32 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-(2-methylphenyl)-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-(2-methylphenyl)-4-oxopyridazine-3-carboxamide
PubChem CID1481279
Molecular FormulaC18H13F2N3O2
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Name1-(3,4-difluorophenyl)-N-(2-methylphenyl)-4-oxopyridazine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1nn(-c2ccc(F)c(F)c2)ccc1=O
InChIInChI=1S/C18H13F2N3O2/c1-11-4-2-3-5-15(11)21-18(25)17-16(24)8-9-23(22-17)12-6-7-13(19)14(20)10-12/h2-10H,1H3,(H,21,25)
InChIKeyMAMYTBUPJOICHI-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 1-(3,4-difluorophenyl)-N-(2-methylphenyl)-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(3,4-difluorophenyl)-N-(2-methylphenyl)-4-oxopyridazine-3-carboxamide (CID 1481279) is 1-(3,4-difluorophenyl)-N-(2-methylphenyl)-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-(2-methylphenyl)-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-(2-methylphenyl)-4-oxopyridazine-3-carboxamide is Cc1ccccc1NC(=O)c1nn(-c2ccc(F)c(F)c2)ccc1=O.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-(2-methylphenyl)-4-oxopyridazine-3-carboxamide?
The InChIKey is MAMYTBUPJOICHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O2/c1-11-4-2-3-5-15(11)21-18(25)17-16(24)8-9-23(22-17)12-6-7-13(19)14(20)10-12/h2-10H,1H3,(H,21,25).
What are the key properties of 1-(3,4-difluorophenyl)-N-(2-methylphenyl)-4-oxopyridazine-3-carboxamide?
1-(3,4-difluorophenyl)-N-(2-methylphenyl)-4-oxopyridazine-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 1-(3,4-difluorophenyl)-N-(2-methylphenyl)-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 1481279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).