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

C21H20FN3O2 — CID 9090011

IUPAC1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(2S)-2-phenylpropyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC[C@@H](C)c2ccccc2)nn1-c1ccccc1F
InChIInChI=1S/C21H20FN3O2/c1-14(16-8-4-3-5-9-16)13-23-21(27)20-19(26)12-15(2)25(24-20)18-11-7-6-10-17(18)22/h3-12,14H,13H2,1-2H3,(H,23,27)/t14-/m1/s1
InChIKeyWDGJSWNEYIKJNL-CQSZACIVSA-N
MW365.41 g/mol
LogP3.21
Rot. Bonds5

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

1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(2S)-2-phenylpropyl]pyridazine-3-carboxamide (PubChem CID 9090011) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(2S)-2-phenylpropyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(2S)-2-phenylpropyl]pyridazine-3-carboxamide
PubChem CID9090011
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(2S)-2-phenylpropyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC[C@@H](C)c2ccccc2)nn1-c1ccccc1F
InChIInChI=1S/C21H20FN3O2/c1-14(16-8-4-3-5-9-16)13-23-21(27)20-19(26)12-15(2)25(24-20)18-11-7-6-10-17(18)22/h3-12,14H,13H2,1-2H3,(H,23,27)/t14-/m1/s1
InChIKeyWDGJSWNEYIKJNL-CQSZACIVSA-N
XLogP3.21
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(2S)-2-phenylpropyl]pyridazine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(2S)-2-phenylpropyl]pyridazine-3-carboxamide (CID 9090011) is 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(2S)-2-phenylpropyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(2S)-2-phenylpropyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(2S)-2-phenylpropyl]pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NC[C@@H](C)c2ccccc2)nn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(2S)-2-phenylpropyl]pyridazine-3-carboxamide?
The InChIKey is WDGJSWNEYIKJNL-CQSZACIVSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-14(16-8-4-3-5-9-16)13-23-21(27)20-19(26)12-15(2)25(24-20)18-11-7-6-10-17(18)22/h3-12,14H,13H2,1-2H3,(H,23,27)/t14-/m1/s1.
What are the key properties of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(2S)-2-phenylpropyl]pyridazine-3-carboxamide?
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(2S)-2-phenylpropyl]pyridazine-3-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(2S)-2-phenylpropyl]pyridazine-3-carboxamide is sourced from PubChem (CID 9090011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).