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

C23H17F3N6O — CID 46927437

IUPAC2-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1cc(CC(=O)Nc2ccc(-c3cnccn3)cn2)cnc1-c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C23H17F3N6O/c1-14-8-15(11-31-22(14)16-4-5-29-19(10-16)23(24,25)26)9-21(33)32-20-3-2-17(12-30-20)18-13-27-6-7-28-18/h2-8,10-13H,9H2,1H3,(H,30,32,33)
InChIKeyWFMNYHYRMRLZQS-UHFFFAOYSA-N
MW450.42 g/mol
LogP4.50
Rot. Bonds5

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

2-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 46927437) has the molecular formula C23H17F3N6O and a molecular weight of 450.42 g/mol. Its IUPAC name is 2-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID46927437
Molecular FormulaC23H17F3N6O
Molecular Weight450.42 g/mol
Exact Mass450.14
IUPAC Name2-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1cc(CC(=O)Nc2ccc(-c3cnccn3)cn2)cnc1-c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C23H17F3N6O/c1-14-8-15(11-31-22(14)16-4-5-29-19(10-16)23(24,25)26)9-21(33)32-20-3-2-17(12-30-20)18-13-27-6-7-28-18/h2-8,10-13H,9H2,1H3,(H,30,32,33)
InChIKeyWFMNYHYRMRLZQS-UHFFFAOYSA-N
XLogP4.50
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 46927437) is 2-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is Cc1cc(CC(=O)Nc2ccc(-c3cnccn3)cn2)cnc1-c1ccnc(C(F)(F)F)c1.
What is the InChIKey of 2-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is WFMNYHYRMRLZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N6O/c1-14-8-15(11-31-22(14)16-4-5-29-19(10-16)23(24,25)26)9-21(33)32-20-3-2-17(12-30-20)18-13-27-6-7-28-18/h2-8,10-13H,9H2,1H3,(H,30,32,33).
What are the key properties of 2-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 450.42 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 46927437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).