2-[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide

C22H17FN6O — CID 46927368

IUPAC2-[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide
SMILESCc1cc(CC(=O)Nc2ccc(-c3cccnn3)cn2)cnc1-c1ccnc(F)c1
InChIInChI=1S/C22H17FN6O/c1-14-9-15(12-26-22(14)16-6-8-24-19(23)11-16)10-21(30)28-20-5-4-17(13-25-20)18-3-2-7-27-29-18/h2-9,11-13H,10H2,1H3,(H,25,28,30)
InChIKeyBFDMHLLSDHBHRV-UHFFFAOYSA-N
MW400.42 g/mol
LogP3.62
Rot. Bonds5

About 2-[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide

2-[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide (PubChem CID 46927368) has the molecular formula C22H17FN6O and a molecular weight of 400.42 g/mol. Its IUPAC name is 2-[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide
PubChem CID46927368
Molecular FormulaC22H17FN6O
Molecular Weight400.42 g/mol
Exact Mass400.14
IUPAC Name2-[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide
SMILESCc1cc(CC(=O)Nc2ccc(-c3cccnn3)cn2)cnc1-c1ccnc(F)c1
InChIInChI=1S/C22H17FN6O/c1-14-9-15(12-26-22(14)16-6-8-24-19(23)11-16)10-21(30)28-20-5-4-17(13-25-20)18-3-2-7-27-29-18/h2-9,11-13H,10H2,1H3,(H,25,28,30)
InChIKeyBFDMHLLSDHBHRV-UHFFFAOYSA-N
XLogP3.62
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide (CID 46927368) is 2-[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide is Cc1cc(CC(=O)Nc2ccc(-c3cccnn3)cn2)cnc1-c1ccnc(F)c1.
What is the InChIKey of 2-[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide?
The InChIKey is BFDMHLLSDHBHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6O/c1-14-9-15(12-26-22(14)16-6-8-24-19(23)11-16)10-21(30)28-20-5-4-17(13-25-20)18-3-2-7-27-29-18/h2-9,11-13H,10H2,1H3,(H,25,28,30).
What are the key properties of 2-[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide?
2-[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide has a molecular weight of 400.42 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 46927368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).