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

C20H18FN3O2 — CID 9182446

IUPACN-[2-(3-fluorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCc2cccc(F)c2)nn1-c1ccccc1
InChIInChI=1S/C20H18FN3O2/c1-14-12-18(25)19(23-24(14)17-8-3-2-4-9-17)20(26)22-11-10-15-6-5-7-16(21)13-15/h2-9,12-13H,10-11H2,1H3,(H,22,26)
InChIKeyKKJIJBOCDRBWRL-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.65
Rot. Bonds5

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

N-[2-(3-fluorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 9182446) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID9182446
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCc2cccc(F)c2)nn1-c1ccccc1
InChIInChI=1S/C20H18FN3O2/c1-14-12-18(25)19(23-24(14)17-8-3-2-4-9-17)20(26)22-11-10-15-6-5-7-16(21)13-15/h2-9,12-13H,10-11H2,1H3,(H,22,26)
InChIKeyKKJIJBOCDRBWRL-UHFFFAOYSA-N
XLogP2.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (CID 9182446) is N-[2-(3-fluorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NCCc2cccc(F)c2)nn1-c1ccccc1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is KKJIJBOCDRBWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-14-12-18(25)19(23-24(14)17-8-3-2-4-9-17)20(26)22-11-10-15-6-5-7-16(21)13-15/h2-9,12-13H,10-11H2,1H3,(H,22,26).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
N-[2-(3-fluorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 9182446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).