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

C13H12ClF2N5O2 — CID 90689457

IUPAC2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide
SMILESNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O
InChIInChI=1S/C13H12ClF2N5O2/c14-9-5-19-11(12(23)21(9)6-10(17)22)20-7-13(15,16)8-3-1-2-4-18-8/h1-5H,6-7H2,(H2,17,22)(H,19,20)
InChIKeyFIOVUZLHOSEFSZ-UHFFFAOYSA-N
MW343.72 g/mol
LogP0.98
Rot. Bonds6

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

2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide (PubChem CID 90689457) has the molecular formula C13H12ClF2N5O2 and a molecular weight of 343.72 g/mol. Its IUPAC name is 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide
PubChem CID90689457
Molecular FormulaC13H12ClF2N5O2
Molecular Weight343.72 g/mol
Exact Mass343.06
IUPAC Name2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide
SMILESNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O
InChIInChI=1S/C13H12ClF2N5O2/c14-9-5-19-11(12(23)21(9)6-10(17)22)20-7-13(15,16)8-3-1-2-4-18-8/h1-5H,6-7H2,(H2,17,22)(H,19,20)
InChIKeyFIOVUZLHOSEFSZ-UHFFFAOYSA-N
XLogP0.98
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.72
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide with MolForge

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Related Compounds

Dpoc-4088
CID 9955534
N,N'-bis[(pyridin-2-yl)methyl]ethanediamide
CID 3113972
6-Methyl-2-(pyridin-2-yl)pyrimidin-4-ol
CID 135472985
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-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-[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
2-[6-Chloro-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 11762405
2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 18741279
N-(propan-2-yl)-N'-(pyridin-2-ylmethyl)ethanediamide
CID 2053858
N-[(6-carbamimidoylpyridin-3-yl)methyl]-2-{2-oxo-6-phenyl-3-[(2-phenylethyl)amino]-1,2-dihydropyrazin-1-yl}acetamide
CID 11762589

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]acetamide?
The IUPAC name of 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide (CID 90689457) is 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide.
What is the SMILES notation for 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide?
The canonical SMILES for 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide is NC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O.
What is the InChIKey of 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide?
The InChIKey is FIOVUZLHOSEFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2N5O2/c14-9-5-19-11(12(23)21(9)6-10(17)22)20-7-13(15,16)8-3-1-2-4-18-8/h1-5H,6-7H2,(H2,17,22)(H,19,20).
What are the key properties of 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide?
2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide has a molecular weight of 343.72 g/mol, XLogP of 0.98, 6 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]acetamide is sourced from PubChem (CID 90689457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).