N-[4-(3-fluorophenoxy)phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide

C24H17FN4O5 — CID 52706286

IUPACN-[4-(3-fluorophenoxy)phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)nn1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C24H17FN4O5/c1-15-13-22(30)23(27-28(15)20-7-2-3-8-21(20)29(32)33)24(31)26-17-9-11-18(12-10-17)34-19-6-4-5-16(25)14-19/h2-14H,1H3,(H,26,31)
InChIKeyODBQLPBLQAUINO-UHFFFAOYSA-N
MW460.42 g/mol
LogP4.63
Rot. Bonds6

About N-[4-(3-fluorophenoxy)phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide

N-[4-(3-fluorophenoxy)phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide (PubChem CID 52706286) has the molecular formula C24H17FN4O5 and a molecular weight of 460.42 g/mol. Its IUPAC name is N-[4-(3-fluorophenoxy)phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenoxy)phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
PubChem CID52706286
Molecular FormulaC24H17FN4O5
Molecular Weight460.42 g/mol
Exact Mass460.12
IUPAC NameN-[4-(3-fluorophenoxy)phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)nn1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C24H17FN4O5/c1-15-13-22(30)23(27-28(15)20-7-2-3-8-21(20)29(32)33)24(31)26-17-9-11-18(12-10-17)34-19-6-4-5-16(25)14-19/h2-14H,1H3,(H,26,31)
InChIKeyODBQLPBLQAUINO-UHFFFAOYSA-N
XLogP4.63
TPSA116.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-methoxyphenoxy)phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 27054324
N-(4-ethoxyphenyl)-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 7678289
6-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 55787723
N-(2,3-difluorophenyl)-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 60596494
N-[4-(dimethylcarbamoyl)phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 34546766
6-methyl-N-[3-(2-methylpropanoylamino)phenyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 55609823
6-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 51613671
6-methyl-1-(2-nitrophenyl)-4-oxo-N-[4-(pyrazol-1-ylmethyl)phenyl]pyridazine-3-carboxamide
CID 55812359
6-methyl-1-(2-nitrophenyl)-4-oxo-N-propylpyridazine-3-carboxamide
CID 27256280
1-(2-chlorophenyl)-N-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9072335
N-[4-(difluoromethoxy)phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9084555
6-methyl-1-(2-nitrophenyl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide
CID 27447504

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenoxy)phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-[4-(3-fluorophenoxy)phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide (CID 52706286) is N-[4-(3-fluorophenoxy)phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(3-fluorophenoxy)phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[4-(3-fluorophenoxy)phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)nn1-c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[4-(3-fluorophenoxy)phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide?
The InChIKey is ODBQLPBLQAUINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O5/c1-15-13-22(30)23(27-28(15)20-7-2-3-8-21(20)29(32)33)24(31)26-17-9-11-18(12-10-17)34-19-6-4-5-16(25)14-19/h2-14H,1H3,(H,26,31).
What are the key properties of N-[4-(3-fluorophenoxy)phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide?
N-[4-(3-fluorophenoxy)phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide has a molecular weight of 460.42 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenoxy)phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 52706286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).