N-[4-(azetidin-3-yloxy)phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide

C16H15F3N4O3 — CID 118903705

IUPACN-[4-(azetidin-3-yloxy)phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(OC2CNC2)cc1)c1cnc(OCC(F)(F)F)cn1
InChIInChI=1S/C16H15F3N4O3/c17-16(18,19)9-25-14-8-21-13(7-22-14)15(24)23-10-1-3-11(4-2-10)26-12-5-20-6-12/h1-4,7-8,12,20H,5-6,9H2,(H,23,24)
InChIKeyUBYUYBZGGSAYOU-UHFFFAOYSA-N
MW368.32 g/mol
LogP2.02
Rot. Bonds6

About N-[4-(azetidin-3-yloxy)phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide

N-[4-(azetidin-3-yloxy)phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide (PubChem CID 118903705) has the molecular formula C16H15F3N4O3 and a molecular weight of 368.32 g/mol. Its IUPAC name is N-[4-(azetidin-3-yloxy)phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(azetidin-3-yloxy)phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
PubChem CID118903705
Molecular FormulaC16H15F3N4O3
Molecular Weight368.32 g/mol
Exact Mass368.11
IUPAC NameN-[4-(azetidin-3-yloxy)phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(OC2CNC2)cc1)c1cnc(OCC(F)(F)F)cn1
InChIInChI=1S/C16H15F3N4O3/c17-16(18,19)9-25-14-8-21-13(7-22-14)15(24)23-10-1-3-11(4-2-10)26-12-5-20-6-12/h1-4,7-8,12,20H,5-6,9H2,(H,23,24)
InChIKeyUBYUYBZGGSAYOU-UHFFFAOYSA-N
XLogP2.02
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 862101
Pyrazine-2-carboxylic acid (4-trifluoromethoxy-phenyl)-amide
CID 1448426
N-(2-phenoxyphenyl)pyrazine-2-carboxamide
CID 862103
N-(2-ethoxyphenyl)pyrazine-2-carboxamide
CID 862099
5-Methyl-pyrazine-2-carboxylic acid (4-trifluoromethoxy-phenyl)-amide
CID 1448495
[2-Oxo-2-(4-phenoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate
CID 2355446
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide
CID 168291911
N-(4-ethoxyphenyl)-3-[(2-pyrazinylcarbonyl)hydrazono]butanamide
CID 9610622
N-(4-ethoxyphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide
CID 3238728
N-(4-phenoxyphenyl)pyrazine-2-carboxamide
CID 695409
N-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide
CID 118903364
N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methyl-3-pyridinyl]-5-methoxypyrazine-2-carboxamide
CID 151188052

Frequently Asked Questions

What is the IUPAC name of N-[4-(azetidin-3-yloxy)phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
The IUPAC name of N-[4-(azetidin-3-yloxy)phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide (CID 118903705) is N-[4-(azetidin-3-yloxy)phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(azetidin-3-yloxy)phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(azetidin-3-yloxy)phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide is O=C(Nc1ccc(OC2CNC2)cc1)c1cnc(OCC(F)(F)F)cn1.
What is the InChIKey of N-[4-(azetidin-3-yloxy)phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
The InChIKey is UBYUYBZGGSAYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O3/c17-16(18,19)9-25-14-8-21-13(7-22-14)15(24)23-10-1-3-11(4-2-10)26-12-5-20-6-12/h1-4,7-8,12,20H,5-6,9H2,(H,23,24).
What are the key properties of N-[4-(azetidin-3-yloxy)phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
N-[4-(azetidin-3-yloxy)phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide has a molecular weight of 368.32 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azetidin-3-yloxy)phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 118903705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).