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

C21H15FN6O — CID 58447686

IUPAC2-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESO=C(Cc1ccc(-c2ccnc(F)c2)nc1)Nc1ccc(-c2cnccn2)cn1
InChIInChI=1S/C21H15FN6O/c22-19-10-15(5-6-25-19)17-3-1-14(11-26-17)9-21(29)28-20-4-2-16(12-27-20)18-13-23-7-8-24-18/h1-8,10-13H,9H2,(H,27,28,29)
InChIKeyFGCWBLIGUKVVGR-UHFFFAOYSA-N
MW386.39 g/mol
LogP3.32
Rot. Bonds5

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

2-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 58447686) has the molecular formula C21H15FN6O and a molecular weight of 386.39 g/mol. Its IUPAC name is 2-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID58447686
Molecular FormulaC21H15FN6O
Molecular Weight386.39 g/mol
Exact Mass386.13
IUPAC Name2-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESO=C(Cc1ccc(-c2ccnc(F)c2)nc1)Nc1ccc(-c2cnccn2)cn1
InChIInChI=1S/C21H15FN6O/c22-19-10-15(5-6-25-19)17-3-1-14(11-26-17)9-21(29)28-20-4-2-16(12-27-20)18-13-23-7-8-24-18/h1-8,10-13H,9H2,(H,27,28,29)
InChIKeyFGCWBLIGUKVVGR-UHFFFAOYSA-N
XLogP3.32
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 53.32
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)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 58447686) is 2-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is O=C(Cc1ccc(-c2ccnc(F)c2)nc1)Nc1ccc(-c2cnccn2)cn1.
What is the InChIKey of 2-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is FGCWBLIGUKVVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN6O/c22-19-10-15(5-6-25-19)17-3-1-14(11-26-17)9-21(29)28-20-4-2-16(12-27-20)18-13-23-7-8-24-18/h1-8,10-13H,9H2,(H,27,28,29).
What are the key properties of 2-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 386.39 g/mol, XLogP of 3.32, 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)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 58447686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).