N-[3-(difluoromethoxy)phenyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide

C16H14F2N4O3 — CID 71785195

IUPACN-[3-(difluoromethoxy)phenyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)C1CN(C(=O)c2cnccn2)C1
InChIInChI=1S/C16H14F2N4O3/c17-16(18)25-12-3-1-2-11(6-12)21-14(23)10-8-22(9-10)15(24)13-7-19-4-5-20-13/h1-7,10,16H,8-9H2,(H,21,23)
InChIKeyWMRAFOYHIRTKMD-UHFFFAOYSA-N
MW348.31 g/mol
LogP1.79
Rot. Bonds5

About N-[3-(difluoromethoxy)phenyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide

N-[3-(difluoromethoxy)phenyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide (PubChem CID 71785195) has the molecular formula C16H14F2N4O3 and a molecular weight of 348.31 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
PubChem CID71785195
Molecular FormulaC16H14F2N4O3
Molecular Weight348.31 g/mol
Exact Mass348.10
IUPAC NameN-[3-(difluoromethoxy)phenyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)C1CN(C(=O)c2cnccn2)C1
InChIInChI=1S/C16H14F2N4O3/c17-16(18)25-12-3-1-2-11(6-12)21-14(23)10-8-22(9-10)15(24)13-7-19-4-5-20-13/h1-7,10,16H,8-9H2,(H,21,23)
InChIKeyWMRAFOYHIRTKMD-UHFFFAOYSA-N
XLogP1.79
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide (CID 71785195) is N-[3-(difluoromethoxy)phenyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide is O=C(Nc1cccc(OC(F)F)c1)C1CN(C(=O)c2cnccn2)C1.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
The InChIKey is WMRAFOYHIRTKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O3/c17-16(18)25-12-3-1-2-11(6-12)21-14(23)10-8-22(9-10)15(24)13-7-19-4-5-20-13/h1-7,10,16H,8-9H2,(H,21,23).
What are the key properties of N-[3-(difluoromethoxy)phenyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
N-[3-(difluoromethoxy)phenyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide has a molecular weight of 348.31 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 71785195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).