2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(3-chlorophenyl)methyl]acetamide

C20H17Cl2F2N5O2 — CID 11317308

IUPAC2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(3-chlorophenyl)methyl]acetamide
SMILESO=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1cccc(Cl)c1
InChIInChI=1S/C20H17Cl2F2N5O2/c21-14-5-3-4-13(8-14)9-26-17(30)11-29-16(22)10-27-18(19(29)31)28-12-20(23,24)15-6-1-2-7-25-15/h1-8,10H,9,11-12H2,(H,26,30)(H,27,28)
InChIKeyVWAJDWSLISCZOZ-UHFFFAOYSA-N
MW468.29 g/mol
LogP3.47
Rot. Bonds8

About 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(3-chlorophenyl)methyl]acetamide

2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(3-chlorophenyl)methyl]acetamide (PubChem CID 11317308) has the molecular formula C20H17Cl2F2N5O2 and a molecular weight of 468.29 g/mol. Its IUPAC name is 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(3-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(3-chlorophenyl)methyl]acetamide
PubChem CID11317308
Molecular FormulaC20H17Cl2F2N5O2
Molecular Weight468.29 g/mol
Exact Mass467.07
IUPAC Name2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(3-chlorophenyl)methyl]acetamide
SMILESO=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1cccc(Cl)c1
InChIInChI=1S/C20H17Cl2F2N5O2/c21-14-5-3-4-13(8-14)9-26-17(30)11-29-16(22)10-27-18(19(29)31)28-12-20(23,24)15-6-1-2-7-25-15/h1-8,10H,9,11-12H2,(H,26,30)(H,27,28)
InChIKeyVWAJDWSLISCZOZ-UHFFFAOYSA-N
XLogP3.47
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.29
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Dpoc-4088
CID 9955534
2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-N-(3-fluoro-4-methyl-pyridin-2-ylmethyl)-acetamide
CID 447221
(2-[6-Chloro-3-{[2,2-difluoro-2-(1-oxidopyridin-2-YL)ethyl]amino}-2-oxopyrazin-1(2H)-YL]-N-[5-chloro-2-(1H-tetrazol-1-YL)benzyl]acetamide
CID 656916
2-(6-Chloro-3-{[2,2-difluoro-2-(1-oxido-2-pyridinyl)ethyl]amino}-2-oxo-1(2H)-pyrazinyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 656913
2-(6-Chloro-3-((2,2-difluoro-2-(2-pyridinyl)ethyl)amino)-2-oxo-1(2H)-pyrazinyl)-N-((2-fluoro-6-pyridinyl)methyl)acetamide
CID 447219
2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[(3-chlorophenyl)methyl]acetamide
CID 9848165
2-(2-(5-Chloro-4-(2-(2,5-dichlorobenzylamino)-2-oxoethyl)-3-oxo-3,4-dihydropyrazin-2-ylamino)ethyl)pyridine 1-oxide
CID 9869891
2-[6-Cyano-3-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-N-(3-fluoro-4-methyl-pyridin-2-ylmethyl)-acetamide
CID 9911960
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide
CID 10027333
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[3-cyano-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide
CID 10074165
2-[6-Chloro-3-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-N-(5-chloro-2-tetrazol-1-yl-benzyl)-acetamide
CID 10119483
CID 10165573
CID 10165573

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(3-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(3-chlorophenyl)methyl]acetamide (CID 11317308) is 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(3-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(3-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(3-chlorophenyl)methyl]acetamide is O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1cccc(Cl)c1.
What is the InChIKey of 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(3-chlorophenyl)methyl]acetamide?
The InChIKey is VWAJDWSLISCZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2F2N5O2/c21-14-5-3-4-13(8-14)9-26-17(30)11-29-16(22)10-27-18(19(29)31)28-12-20(23,24)15-6-1-2-7-25-15/h1-8,10H,9,11-12H2,(H,26,30)(H,27,28).
What are the key properties of 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(3-chlorophenyl)methyl]acetamide?
2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(3-chlorophenyl)methyl]acetamide has a molecular weight of 468.29 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(3-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 11317308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).