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

C21H14F2N6O — CID 46927365

IUPAC2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESO=C(Cc1cnc(-c2ccnc(F)c2)c(F)c1)Nc1ccc(-c2cnccn2)cn1
InChIInChI=1S/C21H14F2N6O/c22-16-7-13(10-28-21(16)14-3-4-26-18(23)9-14)8-20(30)29-19-2-1-15(11-27-19)17-12-24-5-6-25-17/h1-7,9-12H,8H2,(H,27,29,30)
InChIKeyICPGGJZTLRPJGS-UHFFFAOYSA-N
MW404.38 g/mol
LogP3.45
Rot. Bonds5

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

2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 46927365) 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-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID46927365
Molecular FormulaC21H14F2N6O
Molecular Weight404.38 g/mol
Exact Mass404.12
IUPAC Name2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESO=C(Cc1cnc(-c2ccnc(F)c2)c(F)c1)Nc1ccc(-c2cnccn2)cn1
InChIInChI=1S/C21H14F2N6O/c22-16-7-13(10-28-21(16)14-3-4-26-18(23)9-14)8-20(30)29-19-2-1-15(11-27-19)17-12-24-5-6-25-17/h1-7,9-12H,8H2,(H,27,29,30)
InChIKeyICPGGJZTLRPJGS-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'}

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

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Related Compounds

2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 58447723
2-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide
CID 90988265
2-(4-phenylphenyl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 167973654
2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 58447787
2-[3-cyano-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide
CID 58447671
2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 58447780
N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-fluoro-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide
CID 118500233
2-[4-(2-methyl-4-pyridinyl)anilino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 122192864
2-[4-(2-methyl-4-pyridinyl)imidazo[4,5-c]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 121280704
N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide
CID 56597105
2-[4-[2-(difluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 121280417
N-[6-(3-fluorophenyl)-3-pyridinyl]-2-(5-methyl-6-pyridin-4-yl-3-pyridinyl)acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[6-(3-methylphenyl)-3-pyridinyl]acetamide;2-(5-methyl-6-pyridin-4-yl-3-pyridinyl)-N-(5-pyridin-2-yl-2-pyridinyl)acetamide;N-(5-pyridin-2-yl-2-pyridinyl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide
CID 161125461

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 46927365) is 2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is O=C(Cc1cnc(-c2ccnc(F)c2)c(F)c1)Nc1ccc(-c2cnccn2)cn1.
What is the InChIKey of 2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is ICPGGJZTLRPJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N6O/c22-16-7-13(10-28-21(16)14-3-4-26-18(23)9-14)8-20(30)29-19-2-1-15(11-27-19)17-12-24-5-6-25-17/h1-7,9-12H,8H2,(H,27,29,30).
What are the key properties of 2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-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-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 46927365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).