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

C23H15FN6O — CID 58447811

IUPAC2-[3-cyano-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESN#Cc1cc(CC(=O)Nc2ccc(-c3cnccn3)cn2)ccc1-c1ccnc(F)c1
InChIInChI=1S/C23H15FN6O/c24-21-11-16(5-6-28-21)19-3-1-15(9-18(19)12-25)10-23(31)30-22-4-2-17(13-29-22)20-14-26-7-8-27-20/h1-9,11,13-14H,10H2,(H,29,30,31)
InChIKeyXMXOYTPYMRJTBQ-UHFFFAOYSA-N
MW410.41 g/mol
LogP3.79
Rot. Bonds5

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

2-[3-cyano-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 58447811) has the molecular formula C23H15FN6O and a molecular weight of 410.41 g/mol. Its IUPAC name is 2-[3-cyano-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[3-cyano-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID58447811
Molecular FormulaC23H15FN6O
Molecular Weight410.41 g/mol
Exact Mass410.13
IUPAC Name2-[3-cyano-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESN#Cc1cc(CC(=O)Nc2ccc(-c3cnccn3)cn2)ccc1-c1ccnc(F)c1
InChIInChI=1S/C23H15FN6O/c24-21-11-16(5-6-28-21)19-3-1-15(9-18(19)12-25)10-23(31)30-22-4-2-17(13-29-22)20-14-26-7-8-27-20/h1-9,11,13-14H,10H2,(H,29,30,31)
InChIKeyXMXOYTPYMRJTBQ-UHFFFAOYSA-N
XLogP3.79
TPSA104.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 53.79
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-[3-cyano-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[3-cyano-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 58447811) is 2-[3-cyano-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[3-cyano-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[3-cyano-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is N#Cc1cc(CC(=O)Nc2ccc(-c3cnccn3)cn2)ccc1-c1ccnc(F)c1.
What is the InChIKey of 2-[3-cyano-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is XMXOYTPYMRJTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN6O/c24-21-11-16(5-6-28-21)19-3-1-15(9-18(19)12-25)10-23(31)30-22-4-2-17(13-29-22)20-14-26-7-8-27-20/h1-9,11,13-14H,10H2,(H,29,30,31).
What are the key properties of 2-[3-cyano-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-[3-cyano-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 410.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyano-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 58447811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).