N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide

C13H11F3N4O2 — CID 86986221

IUPACN-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(OCC(F)(F)F)nc1)c1cnccn1
InChIInChI=1S/C13H11F3N4O2/c14-13(15,16)8-22-11-2-1-9(5-19-11)6-20-12(21)10-7-17-3-4-18-10/h1-5,7H,6,8H2,(H,20,21)
InChIKeyUEHPFLOIWHJZIX-UHFFFAOYSA-N
MW312.25 g/mol
LogP1.74
Rot. Bonds5

About N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide

N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide (PubChem CID 86986221) has the molecular formula C13H11F3N4O2 and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
PubChem CID86986221
Molecular FormulaC13H11F3N4O2
Molecular Weight312.25 g/mol
Exact Mass312.08
IUPAC NameN-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(OCC(F)(F)F)nc1)c1cnccn1
InChIInChI=1S/C13H11F3N4O2/c14-13(15,16)8-22-11-2-1-9(5-19-11)6-20-12(21)10-7-17-3-4-18-10/h1-5,7H,6,8H2,(H,20,21)
InChIKeyUEHPFLOIWHJZIX-UHFFFAOYSA-N
XLogP1.74
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-6-(3,3,3-trifluoropropoxy)nicotinamide
CID 45487805
3-[[2-Oxo-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]amino]pyridine-2-carboxamide
CID 44425932
N-((2-Chloropyridin-3-yl)methyl)-6-(4-(trifluoromethoxy)phenyl)pyrazine-2-carboxamide
CID 52949586
N-((5-(4-fluoro-2-methoxyphenyl)pyridin-3-yl)methyl)pyrazine-2-carboxamide
CID 54582823
N-[2-[2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
CID 71449283
N-[2-[2-[5-(difluoromethoxy)pyrazin-2-yl]phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
CID 71456401
N-(6-(4-fluorophenoxy)pyridin-3-yl)-5-(4-(4-(trifluoromethyl) phenoxy)piperidine-1-carbonyl)pyrazine-2-carboxamide
CID 66710284
N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]pyrazine-2-carboxamide
CID 89463235
US9840501, Example 36
CID 118484404
US9840501, Example 56
CID 118485018
2-(2-oxopyrimidin-1-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide
CID 32457530
N-[(2-ethoxy-3-pyridinyl)methyl]-6-methylpyridine-2-carboxamide
CID 37486719

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide (CID 86986221) is N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide is O=C(NCc1ccc(OCC(F)(F)F)nc1)c1cnccn1.
What is the InChIKey of N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide?
The InChIKey is UEHPFLOIWHJZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O2/c14-13(15,16)8-22-11-2-1-9(5-19-11)6-20-12(21)10-7-17-3-4-18-10/h1-5,7H,6,8H2,(H,20,21).
What are the key properties of N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide?
N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide has a molecular weight of 312.25 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 86986221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).