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

C20H17F2N3O2 — CID 9182439

IUPAC1-(2-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCc2cccc(F)c2)nn1-c1ccccc1F
InChIInChI=1S/C20H17F2N3O2/c1-13-11-18(26)19(24-25(13)17-8-3-2-7-16(17)22)20(27)23-10-9-14-5-4-6-15(21)12-14/h2-8,11-12H,9-10H2,1H3,(H,23,27)
InChIKeyXRYWGXWMMLPWNJ-UHFFFAOYSA-N
MW369.37 g/mol
LogP2.79
Rot. Bonds5

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

1-(2-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 9182439) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide
PubChem CID9182439
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name1-(2-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCc2cccc(F)c2)nn1-c1ccccc1F
InChIInChI=1S/C20H17F2N3O2/c1-13-11-18(26)19(24-25(13)17-8-3-2-7-16(17)22)20(27)23-10-9-14-5-4-6-15(21)12-14/h2-8,11-12H,9-10H2,1H3,(H,23,27)
InChIKeyXRYWGXWMMLPWNJ-UHFFFAOYSA-N
XLogP2.79
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide (CID 9182439) is 1-(2-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NCCc2cccc(F)c2)nn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide?
The InChIKey is XRYWGXWMMLPWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c1-13-11-18(26)19(24-25(13)17-8-3-2-7-16(17)22)20(27)23-10-9-14-5-4-6-15(21)12-14/h2-8,11-12H,9-10H2,1H3,(H,23,27).
What are the key properties of 1-(2-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide?
1-(2-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide has a molecular weight of 369.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 9182439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).