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

C21H14F2N6O — CID 46927367

IUPAC2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide
SMILESO=C(Cc1cnc(-c2ccnc(F)c2)c(F)c1)Nc1ccc(-c2cccnn2)cn1
InChIInChI=1S/C21H14F2N6O/c22-16-8-13(11-26-21(16)14-5-7-24-18(23)10-14)9-20(30)28-19-4-3-15(12-25-19)17-2-1-6-27-29-17/h1-8,10-12H,9H2,(H,25,28,30)
InChIKeyYPFUBKSFIHXNAG-UHFFFAOYSA-N
MW404.38 g/mol
LogP3.45
Rot. Bonds5

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

2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide (PubChem CID 46927367) has the molecular formula C21H14F2N6O and a molecular weight of 404.38 g/mol. Its IUPAC name is 2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide
PubChem CID46927367
Molecular FormulaC21H14F2N6O
Molecular Weight404.38 g/mol
Exact Mass404.12
IUPAC Name2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide
SMILESO=C(Cc1cnc(-c2ccnc(F)c2)c(F)c1)Nc1ccc(-c2cccnn2)cn1
InChIInChI=1S/C21H14F2N6O/c22-16-8-13(11-26-21(16)14-5-7-24-18(23)10-14)9-20(30)28-19-4-3-15(12-25-19)17-2-1-6-27-29-17/h1-8,10-12H,9H2,(H,25,28,30)
InChIKeyYPFUBKSFIHXNAG-UHFFFAOYSA-N
XLogP3.45
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.38
LogP ≤ 53.45
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-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide (CID 46927367) is 2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide is O=C(Cc1cnc(-c2ccnc(F)c2)c(F)c1)Nc1ccc(-c2cccnn2)cn1.
What is the InChIKey of 2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide?
The InChIKey is YPFUBKSFIHXNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N6O/c22-16-8-13(11-26-21(16)14-5-7-24-18(23)10-14)9-20(30)28-19-4-3-15(12-25-19)17-2-1-6-27-29-17/h1-8,10-12H,9H2,(H,25,28,30).
What are the key properties of 2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide?
2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide has a molecular weight of 404.38 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 46927367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).