N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

C26H23FN4O4 — CID 55888338

IUPACN-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCCOc1ccc(Oc2cc(CNC(=O)c3nn(-c4ccccc4F)c(C)cc3=O)ccn2)cc1
InChIInChI=1S/C26H23FN4O4/c1-3-34-19-8-10-20(11-9-19)35-24-15-18(12-13-28-24)16-29-26(33)25-23(32)14-17(2)31(30-25)22-7-5-4-6-21(22)27/h4-15H,3,16H2,1-2H3,(H,29,33)
InChIKeyOEYMGRRNZRLGRR-UHFFFAOYSA-N
MW474.49 g/mol
LogP4.20
Rot. Bonds8

About N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 55888338) has the molecular formula C26H23FN4O4 and a molecular weight of 474.49 g/mol. Its IUPAC name is N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
PubChem CID55888338
Molecular FormulaC26H23FN4O4
Molecular Weight474.49 g/mol
Exact Mass474.17
IUPAC NameN-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCCOc1ccc(Oc2cc(CNC(=O)c3nn(-c4ccccc4F)c(C)cc3=O)ccn2)cc1
InChIInChI=1S/C26H23FN4O4/c1-3-34-19-8-10-20(11-9-19)35-24-15-18(12-13-28-24)16-29-26(33)25-23(32)14-17(2)31(30-25)22-7-5-4-6-21(22)27/h4-15H,3,16H2,1-2H3,(H,29,33)
InChIKeyOEYMGRRNZRLGRR-UHFFFAOYSA-N
XLogP4.20
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide with MolForge

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Related Compounds

N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 55413362
N-[(2-ethoxyphenyl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 60565851
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 55750161
N-[(3-carbamoylphenyl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 32637022
1-(2-fluorophenyl)-6-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxopyridazine-3-carboxamide
CID 55461205
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzamide
CID 55888466
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47063430
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-naphthalen-1-ylacetamide
CID 55888076
2-ethoxy-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]pyridine-3-carboxamide
CID 55886671
1-(2-fluorophenyl)-6-methyl-4-oxo-N-prop-2-enylpyridazine-3-carboxamide
CID 9076740
1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide
CID 26689309
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 55887692

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide (CID 55888338) is N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide is CCOc1ccc(Oc2cc(CNC(=O)c3nn(-c4ccccc4F)c(C)cc3=O)ccn2)cc1.
What is the InChIKey of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The InChIKey is OEYMGRRNZRLGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O4/c1-3-34-19-8-10-20(11-9-19)35-24-15-18(12-13-28-24)16-29-26(33)25-23(32)14-17(2)31(30-25)22-7-5-4-6-21(22)27/h4-15H,3,16H2,1-2H3,(H,29,33).
What are the key properties of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide has a molecular weight of 474.49 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 55888338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).