N-(2,6-difluorophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide

C24H17F2N3O2 — CID 108790637

IUPACN-(2,6-difluorophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
SMILESCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2c(F)cccc2F)c1=O
InChIInChI=1S/C24H17F2N3O2/c1-29-24(31)20(23(30)27-22-17(25)13-8-14-18(22)26)19(15-9-4-2-5-10-15)21(28-29)16-11-6-3-7-12-16/h2-14H,1H3,(H,27,30)
InChIKeyXZSNCRBFOGSQFK-UHFFFAOYSA-N
MW417.42 g/mol
LogP4.64
Rot. Bonds4

About N-(2,6-difluorophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide

N-(2,6-difluorophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide (PubChem CID 108790637) has the molecular formula C24H17F2N3O2 and a molecular weight of 417.42 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
PubChem CID108790637
Molecular FormulaC24H17F2N3O2
Molecular Weight417.42 g/mol
Exact Mass417.13
IUPAC NameN-(2,6-difluorophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
SMILESCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2c(F)cccc2F)c1=O
InChIInChI=1S/C24H17F2N3O2/c1-29-24(31)20(23(30)27-22-17(25)13-8-14-18(22)26)19(15-9-4-2-5-10-15)21(28-29)16-11-6-3-7-12-16/h2-14H,1H3,(H,27,30)
InChIKeyXZSNCRBFOGSQFK-UHFFFAOYSA-N
XLogP4.64
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790558
2-methyl-3-oxo-5,6-diphenyl-N-propylpyridazine-4-carboxamide
CID 108790559
2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803371
N-(4-hydroxy-2-methylphenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790593
2-methyl-N-(5-methyl-2-pyridinyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803387
2-methyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide
CID 108803336
2-methyl-N-(4-morpholin-4-ylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 16957852
N-cyclododecyl-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790626
3-hydroxy-2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]butanoic acid
CID 108790658
methyl 4-methyl-2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 16876725
ethyl 2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]acetate
CID 108803402
2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108727347

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide (CID 108790637) is N-(2,6-difluorophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide is Cn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2c(F)cccc2F)c1=O.
What is the InChIKey of N-(2,6-difluorophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The InChIKey is XZSNCRBFOGSQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3O2/c1-29-24(31)20(23(30)27-22-17(25)13-8-14-18(22)26)19(15-9-4-2-5-10-15)21(28-29)16-11-6-3-7-12-16/h2-14H,1H3,(H,27,30).
What are the key properties of N-(2,6-difluorophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
N-(2,6-difluorophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide has a molecular weight of 417.42 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide is sourced from PubChem (CID 108790637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).