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

C15H13F3N4O2 — CID 118903364

IUPACN-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(OC2CNC2)cc1)c1cnc(C(F)(F)F)cn1
InChIInChI=1S/C15H13F3N4O2/c16-15(17,18)13-8-20-12(7-21-13)14(23)22-9-1-3-10(4-2-9)24-11-5-19-6-11/h1-4,7-8,11,19H,5-6H2,(H,22,23)
InChIKeyNVELGGIUWGDUQE-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.10
Rot. Bonds4

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

N-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide (PubChem CID 118903364) has the molecular formula C15H13F3N4O2 and a molecular weight of 338.29 g/mol. Its IUPAC name is N-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide
PubChem CID118903364
Molecular FormulaC15H13F3N4O2
Molecular Weight338.29 g/mol
Exact Mass338.10
IUPAC NameN-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(OC2CNC2)cc1)c1cnc(C(F)(F)F)cn1
InChIInChI=1S/C15H13F3N4O2/c16-15(17,18)13-8-20-12(7-21-13)14(23)22-9-1-3-10(4-2-9)24-11-5-19-6-11/h1-4,7-8,11,19H,5-6H2,(H,22,23)
InChIKeyNVELGGIUWGDUQE-UHFFFAOYSA-N
XLogP2.10
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide?
The IUPAC name of N-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide (CID 118903364) is N-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide is O=C(Nc1ccc(OC2CNC2)cc1)c1cnc(C(F)(F)F)cn1.
What is the InChIKey of N-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide?
The InChIKey is NVELGGIUWGDUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O2/c16-15(17,18)13-8-20-12(7-21-13)14(23)22-9-1-3-10(4-2-9)24-11-5-19-6-11/h1-4,7-8,11,19H,5-6H2,(H,22,23).
What are the key properties of N-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide?
N-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide has a molecular weight of 338.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 118903364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).