2-[6-cyano-3-[[2,2-difluoro-2-(1-hydroxy-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-(2-phenylethyl)acetamide

C22H22F2N6O3 — CID 162577897

IUPAC2-[6-cyano-3-[[2,2-difluoro-2-(1-hydroxy-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESN#Cc1cnc(NCC(F)(F)C2=CC=CCN2O)c(=O)n1CC(=O)NCCc1ccccc1
InChIInChI=1S/C22H22F2N6O3/c23-22(24,18-8-4-5-11-30(18)33)15-28-20-21(32)29(17(12-25)13-27-20)14-19(31)26-10-9-16-6-2-1-3-7-16/h1-8,13,33H,9-11,14-15H2,(H,26,31)(H,27,28)
InChIKeyWUKFFQFIVSNKIR-UHFFFAOYSA-N
MW456.45 g/mol
LogP1.67
Rot. Bonds9

About 2-[6-cyano-3-[[2,2-difluoro-2-(1-hydroxy-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-(2-phenylethyl)acetamide

2-[6-cyano-3-[[2,2-difluoro-2-(1-hydroxy-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 162577897) has the molecular formula C22H22F2N6O3 and a molecular weight of 456.45 g/mol. Its IUPAC name is 2-[6-cyano-3-[[2,2-difluoro-2-(1-hydroxy-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[6-cyano-3-[[2,2-difluoro-2-(1-hydroxy-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID162577897
Molecular FormulaC22H22F2N6O3
Molecular Weight456.45 g/mol
Exact Mass456.17
IUPAC Name2-[6-cyano-3-[[2,2-difluoro-2-(1-hydroxy-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESN#Cc1cnc(NCC(F)(F)C2=CC=CCN2O)c(=O)n1CC(=O)NCCc1ccccc1
InChIInChI=1S/C22H22F2N6O3/c23-22(24,18-8-4-5-11-30(18)33)15-28-20-21(32)29(17(12-25)13-27-20)14-19(31)26-10-9-16-6-2-1-3-7-16/h1-8,13,33H,9-11,14-15H2,(H,26,31)(H,27,28)
InChIKeyWUKFFQFIVSNKIR-UHFFFAOYSA-N
XLogP1.67
TPSA123.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.45
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[6-cyano-3-[[2,2-difluoro-2-(1-hydroxy-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[6-cyano-3-[[2,2-difluoro-2-(1-hydroxy-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-(2-phenylethyl)acetamide (CID 162577897) is 2-[6-cyano-3-[[2,2-difluoro-2-(1-hydroxy-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[6-cyano-3-[[2,2-difluoro-2-(1-hydroxy-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[6-cyano-3-[[2,2-difluoro-2-(1-hydroxy-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-(2-phenylethyl)acetamide is N#Cc1cnc(NCC(F)(F)C2=CC=CCN2O)c(=O)n1CC(=O)NCCc1ccccc1.
What is the InChIKey of 2-[6-cyano-3-[[2,2-difluoro-2-(1-hydroxy-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is WUKFFQFIVSNKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N6O3/c23-22(24,18-8-4-5-11-30(18)33)15-28-20-21(32)29(17(12-25)13-27-20)14-19(31)26-10-9-16-6-2-1-3-7-16/h1-8,13,33H,9-11,14-15H2,(H,26,31)(H,27,28).
What are the key properties of 2-[6-cyano-3-[[2,2-difluoro-2-(1-hydroxy-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-(2-phenylethyl)acetamide?
2-[6-cyano-3-[[2,2-difluoro-2-(1-hydroxy-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 456.45 g/mol, XLogP of 1.67, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-cyano-3-[[2,2-difluoro-2-(1-hydroxy-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 162577897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).