[3-[[5,6-bis(ethenyl)-2-pyridinyl]oxy]-4,4-difluoropiperidin-1-yl]-pyrazin-2-ylmethanone

C19H18F2N4O2 — CID 144671423

IUPAC[3-[[5,6-bis(ethenyl)-2-pyridinyl]oxy]-4,4-difluoropiperidin-1-yl]-pyrazin-2-ylmethanone
SMILESC=Cc1ccc(OC2CN(C(=O)c3cnccn3)CCC2(F)F)nc1C=C
InChIInChI=1S/C19H18F2N4O2/c1-3-13-5-6-17(24-14(13)4-2)27-16-12-25(10-7-19(16,20)21)18(26)15-11-22-8-9-23-15/h3-6,8-9,11,16H,1-2,7,10,12H2
InChIKeyVOWFWVVPTHUVPK-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.09
Rot. Bonds5

About [3-[[5,6-bis(ethenyl)-2-pyridinyl]oxy]-4,4-difluoropiperidin-1-yl]-pyrazin-2-ylmethanone

[3-[[5,6-bis(ethenyl)-2-pyridinyl]oxy]-4,4-difluoropiperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 144671423) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is [3-[[5,6-bis(ethenyl)-2-pyridinyl]oxy]-4,4-difluoropiperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[3-[[5,6-bis(ethenyl)-2-pyridinyl]oxy]-4,4-difluoropiperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID144671423
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name[3-[[5,6-bis(ethenyl)-2-pyridinyl]oxy]-4,4-difluoropiperidin-1-yl]-pyrazin-2-ylmethanone
SMILESC=Cc1ccc(OC2CN(C(=O)c3cnccn3)CCC2(F)F)nc1C=C
InChIInChI=1S/C19H18F2N4O2/c1-3-13-5-6-17(24-14(13)4-2)27-16-12-25(10-7-19(16,20)21)18(26)15-11-22-8-9-23-15/h3-6,8-9,11,16H,1-2,7,10,12H2
InChIKeyVOWFWVVPTHUVPK-UHFFFAOYSA-N
XLogP3.09
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-[[5,6-bis(ethenyl)-2-pyridinyl]oxy]-4,4-difluoropiperidin-1-yl]-pyrazin-2-ylmethanone with MolForge

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Related Compounds

N-((2-Morpholin-4-yl-pyridin-3-yl)methyl)-6-(4-cyanophenyl)-pyrazine-2-carboxamide
CID 16040159
3-[[2-oxo-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]amino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 44425939
3-[[2-oxo-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 44425940
5-(2,3-dimethylphenyl)-N-(2-methoxyethyl)-N-(6-methoxypyridin-3-yl)pyrazine-2-carboxamide
CID 46830094
N-(6-methoxypyridin-3-yl)-N-methyl-5-o-tolylpyrazine-2-carboxamide
CID 46884414
N-ethyl-N-(6-methoxypyridin-3-yl)-5-o-tolylpyrazine-2-carboxamide
CID 46884437
N-isopropyl-N-(6-methoxypyridin-3-yl)-5-o-tolylpyrazine-2-carboxamide
CID 46884438
N-(2-methoxyethyl)-N-(6-methoxypyridin-3-yl)-5-o-tolylpyrazine-2-carboxamide
CID 46884439
5-(4-fluoro-2-methylphenyl)-N-(6-methoxypyridin-3-yl)-N-methylpyrazine-2-carboxamide
CID 46884440
N-ethyl-5-(3-fluoro-2-methylphenyl)-N-(6-methoxypyridin-3-yl)pyrazine-2-carboxamide
CID 46884480
5-(4-(4-fluorobenzyl)piperazine-1-carbonyl)-N-(6-(4-fluorophenoxy)pyridin-3-yl)picolinamide
CID 56650324
N-(6-(4-fluorophenoxy)pyridin-3-yl)-5-(4-(4-(methylsulfonyl)phenoxy)piperidine-1-carbonyl)pyrazine-2-carboxamide
CID 58073298

Frequently Asked Questions

What is the IUPAC name of [3-[[5,6-bis(ethenyl)-2-pyridinyl]oxy]-4,4-difluoropiperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [3-[[5,6-bis(ethenyl)-2-pyridinyl]oxy]-4,4-difluoropiperidin-1-yl]-pyrazin-2-ylmethanone (CID 144671423) is [3-[[5,6-bis(ethenyl)-2-pyridinyl]oxy]-4,4-difluoropiperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [3-[[5,6-bis(ethenyl)-2-pyridinyl]oxy]-4,4-difluoropiperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [3-[[5,6-bis(ethenyl)-2-pyridinyl]oxy]-4,4-difluoropiperidin-1-yl]-pyrazin-2-ylmethanone is C=Cc1ccc(OC2CN(C(=O)c3cnccn3)CCC2(F)F)nc1C=C.
What is the InChIKey of [3-[[5,6-bis(ethenyl)-2-pyridinyl]oxy]-4,4-difluoropiperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is VOWFWVVPTHUVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c1-3-13-5-6-17(24-14(13)4-2)27-16-12-25(10-7-19(16,20)21)18(26)15-11-22-8-9-23-15/h3-6,8-9,11,16H,1-2,7,10,12H2.
What are the key properties of [3-[[5,6-bis(ethenyl)-2-pyridinyl]oxy]-4,4-difluoropiperidin-1-yl]-pyrazin-2-ylmethanone?
[3-[[5,6-bis(ethenyl)-2-pyridinyl]oxy]-4,4-difluoropiperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 372.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[5,6-bis(ethenyl)-2-pyridinyl]oxy]-4,4-difluoropiperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 144671423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).