2-(4-cyanophenoxy)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

C18H13N5O2 — CID 122192861

IUPAC2-(4-cyanophenoxy)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESN#Cc1ccc(OCC(=O)Nc2ccc(-c3cnccn3)cn2)cc1
InChIInChI=1S/C18H13N5O2/c19-9-13-1-4-15(5-2-13)25-12-18(24)23-17-6-3-14(10-22-17)16-11-20-7-8-21-16/h1-8,10-11H,12H2,(H,22,23,24)
InChIKeyVXDCNRIDZCXTNU-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.43
Rot. Bonds5

About 2-(4-cyanophenoxy)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

2-(4-cyanophenoxy)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 122192861) has the molecular formula C18H13N5O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID122192861
Molecular FormulaC18H13N5O2
Molecular Weight331.34 g/mol
Exact Mass331.11
IUPAC Name2-(4-cyanophenoxy)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESN#Cc1ccc(OCC(=O)Nc2ccc(-c3cnccn3)cn2)cc1
InChIInChI=1S/C18H13N5O2/c19-9-13-1-4-15(5-2-13)25-12-18(24)23-17-6-3-14(10-22-17)16-11-20-7-8-21-16/h1-8,10-11H,12H2,(H,22,23,24)
InChIKeyVXDCNRIDZCXTNU-UHFFFAOYSA-N
XLogP2.43
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 122192861) is 2-(4-cyanophenoxy)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is N#Cc1ccc(OCC(=O)Nc2ccc(-c3cnccn3)cn2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is VXDCNRIDZCXTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2/c19-9-13-1-4-15(5-2-13)25-12-18(24)23-17-6-3-14(10-22-17)16-11-20-7-8-21-16/h1-8,10-11H,12H2,(H,22,23,24).
What are the key properties of 2-(4-cyanophenoxy)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-(4-cyanophenoxy)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 331.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 122192861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).