2-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide

C22H16FN5O — CID 58447719

IUPAC2-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide
SMILESO=C(Cc1ccc(-c2ccnc(F)c2)cc1)Nc1ccc(-c2cccnn2)cn1
InChIInChI=1S/C22H16FN5O/c23-20-13-17(9-11-24-20)16-5-3-15(4-6-16)12-22(29)27-21-8-7-18(14-25-21)19-2-1-10-26-28-19/h1-11,13-14H,12H2,(H,25,27,29)
InChIKeyDBPUMTQDKZQFLZ-UHFFFAOYSA-N
MW385.40 g/mol
LogP3.92
Rot. Bonds5

About 2-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide

2-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide (PubChem CID 58447719) has the molecular formula C22H16FN5O and a molecular weight of 385.40 g/mol. Its IUPAC name is 2-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide
PubChem CID58447719
Molecular FormulaC22H16FN5O
Molecular Weight385.40 g/mol
Exact Mass385.13
IUPAC Name2-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide
SMILESO=C(Cc1ccc(-c2ccnc(F)c2)cc1)Nc1ccc(-c2cccnn2)cn1
InChIInChI=1S/C22H16FN5O/c23-20-13-17(9-11-24-20)16-5-3-15(4-6-16)12-22(29)27-21-8-7-18(14-25-21)19-2-1-10-26-28-19/h1-11,13-14H,12H2,(H,25,27,29)
InChIKeyDBPUMTQDKZQFLZ-UHFFFAOYSA-N
XLogP3.92
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide (CID 58447719) is 2-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide is O=C(Cc1ccc(-c2ccnc(F)c2)cc1)Nc1ccc(-c2cccnn2)cn1.
What is the InChIKey of 2-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide?
The InChIKey is DBPUMTQDKZQFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O/c23-20-13-17(9-11-24-20)16-5-3-15(4-6-16)12-22(29)27-21-8-7-18(14-25-21)19-2-1-10-26-28-19/h1-11,13-14H,12H2,(H,25,27,29).
What are the key properties of 2-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide?
2-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide has a molecular weight of 385.40 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 58447719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).