1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]pyridazine-3-carboxamide

C27H24FN3O3 — CID 55750161

IUPAC1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCc2ccc(OCc3ccccc3)cc2)nn1-c1ccccc1F
InChIInChI=1S/C27H24FN3O3/c1-19-17-25(32)26(30-31(19)24-10-6-5-9-23(24)28)27(33)29-16-15-20-11-13-22(14-12-20)34-18-21-7-3-2-4-8-21/h2-14,17H,15-16,18H2,1H3,(H,29,33)
InChIKeyRUXVRXRUVARVIE-UHFFFAOYSA-N
MW457.51 g/mol
LogP4.23
Rot. Bonds8

About 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]pyridazine-3-carboxamide

1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]pyridazine-3-carboxamide (PubChem CID 55750161) has the molecular formula C27H24FN3O3 and a molecular weight of 457.51 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]pyridazine-3-carboxamide
PubChem CID55750161
Molecular FormulaC27H24FN3O3
Molecular Weight457.51 g/mol
Exact Mass457.18
IUPAC Name1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCc2ccc(OCc3ccccc3)cc2)nn1-c1ccccc1F
InChIInChI=1S/C27H24FN3O3/c1-19-17-25(32)26(30-31(19)24-10-6-5-9-23(24)28)27(33)29-16-15-20-11-13-22(14-12-20)34-18-21-7-3-2-4-8-21/h2-14,17H,15-16,18H2,1H3,(H,29,33)
InChIKeyRUXVRXRUVARVIE-UHFFFAOYSA-N
XLogP4.23
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9291779
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-phenylsulfanylethyl)pyridazine-3-carboxamide
CID 8529544
1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide
CID 26689309
1-(2-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 9091973
1-(2-fluorophenyl)-6-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxopyridazine-3-carboxamide
CID 55461205
1-(2-fluorophenyl)-6-methyl-4-oxo-N-prop-2-enylpyridazine-3-carboxamide
CID 9076740
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 55888338
1-(2-fluorophenyl)-N-[3-(methoxymethyl)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 32638790
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]pyridazine-3-carboxamide
CID 9092438
1-(2-fluorophenyl)-6-methyl-N-[2-(methylamino)propyl]-4-oxopyridazine-3-carboxamide
CID 120827965
N-[4-(4-bromophenyl)butan-2-yl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 60566439
N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 55413362

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]pyridazine-3-carboxamide (CID 55750161) is 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NCCc2ccc(OCc3ccccc3)cc2)nn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]pyridazine-3-carboxamide?
The InChIKey is RUXVRXRUVARVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O3/c1-19-17-25(32)26(30-31(19)24-10-6-5-9-23(24)28)27(33)29-16-15-20-11-13-22(14-12-20)34-18-21-7-3-2-4-8-21/h2-14,17H,15-16,18H2,1H3,(H,29,33).
What are the key properties of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]pyridazine-3-carboxamide?
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]pyridazine-3-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 55750161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).