N-(2-anilino-2-oxo-1-phenylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide

C25H19FN4O3 — CID 55779108

IUPACN-(2-anilino-2-oxo-1-phenylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
SMILESO=C(NC(C(=O)Nc1ccccc1)c1ccccc1)c1ccc(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C25H19FN4O3/c26-18-11-13-20(14-12-18)30-22(31)16-15-21(29-30)24(32)28-23(17-7-3-1-4-8-17)25(33)27-19-9-5-2-6-10-19/h1-16,23H,(H,27,33)(H,28,32)
InChIKeyPTXSCFBIOIVZJW-UHFFFAOYSA-N
MW442.45 g/mol
LogP3.48
Rot. Bonds6

About N-(2-anilino-2-oxo-1-phenylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide

N-(2-anilino-2-oxo-1-phenylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 55779108) has the molecular formula C25H19FN4O3 and a molecular weight of 442.45 g/mol. Its IUPAC name is N-(2-anilino-2-oxo-1-phenylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxo-1-phenylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
PubChem CID55779108
Molecular FormulaC25H19FN4O3
Molecular Weight442.45 g/mol
Exact Mass442.14
IUPAC NameN-(2-anilino-2-oxo-1-phenylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
SMILESO=C(NC(C(=O)Nc1ccccc1)c1ccccc1)c1ccc(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C25H19FN4O3/c26-18-11-13-20(14-12-18)30-22(31)16-15-21(29-30)24(32)28-23(17-7-3-1-4-8-17)25(33)27-19-9-5-2-6-10-19/h1-16,23H,(H,27,33)(H,28,32)
InChIKeyPTXSCFBIOIVZJW-UHFFFAOYSA-N
XLogP3.48
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxo-1-phenylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(2-anilino-2-oxo-1-phenylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide (CID 55779108) is N-(2-anilino-2-oxo-1-phenylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(2-anilino-2-oxo-1-phenylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(2-anilino-2-oxo-1-phenylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide is O=C(NC(C(=O)Nc1ccccc1)c1ccccc1)c1ccc(=O)n(-c2ccc(F)cc2)n1.
What is the InChIKey of N-(2-anilino-2-oxo-1-phenylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is PTXSCFBIOIVZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O3/c26-18-11-13-20(14-12-18)30-22(31)16-15-21(29-30)24(32)28-23(17-7-3-1-4-8-17)25(33)27-19-9-5-2-6-10-19/h1-16,23H,(H,27,33)(H,28,32).
What are the key properties of N-(2-anilino-2-oxo-1-phenylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
N-(2-anilino-2-oxo-1-phenylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 442.45 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxo-1-phenylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 55779108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).