N-(ethenylideneamino)-5-[3-(5-fluoro-2-methylphenoxy)azetidin-1-yl]pyrazine-2-carboxamide

C17H16FN5O2 — CID 58367564

IUPACN-(ethenylideneamino)-5-[3-(5-fluoro-2-methylphenoxy)azetidin-1-yl]pyrazine-2-carboxamide
SMILESC=C=NNC(=O)c1cnc(N2CC(Oc3cc(F)ccc3C)C2)cn1
InChIInChI=1S/C17H16FN5O2/c1-3-21-22-17(24)14-7-20-16(8-19-14)23-9-13(10-23)25-15-6-12(18)5-4-11(15)2/h4-8,13H,1,9-10H2,2H3,(H,22,24)
InChIKeyZZVDLZODVZXNAA-UHFFFAOYSA-N
MW341.35 g/mol
LogP1.69
Rot. Bonds5

About N-(ethenylideneamino)-5-[3-(5-fluoro-2-methylphenoxy)azetidin-1-yl]pyrazine-2-carboxamide

N-(ethenylideneamino)-5-[3-(5-fluoro-2-methylphenoxy)azetidin-1-yl]pyrazine-2-carboxamide (PubChem CID 58367564) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is N-(ethenylideneamino)-5-[3-(5-fluoro-2-methylphenoxy)azetidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(ethenylideneamino)-5-[3-(5-fluoro-2-methylphenoxy)azetidin-1-yl]pyrazine-2-carboxamide
PubChem CID58367564
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC NameN-(ethenylideneamino)-5-[3-(5-fluoro-2-methylphenoxy)azetidin-1-yl]pyrazine-2-carboxamide
SMILESC=C=NNC(=O)c1cnc(N2CC(Oc3cc(F)ccc3C)C2)cn1
InChIInChI=1S/C17H16FN5O2/c1-3-21-22-17(24)14-7-20-16(8-19-14)23-9-13(10-23)25-15-6-12(18)5-4-11(15)2/h4-8,13H,1,9-10H2,2H3,(H,22,24)
InChIKeyZZVDLZODVZXNAA-UHFFFAOYSA-N
XLogP1.69
TPSA79.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(ethenylideneamino)-5-[3-(5-fluoro-2-methylphenoxy)azetidin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of N-(ethenylideneamino)-5-[3-(5-fluoro-2-methylphenoxy)azetidin-1-yl]pyrazine-2-carboxamide (CID 58367564) is N-(ethenylideneamino)-5-[3-(5-fluoro-2-methylphenoxy)azetidin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(ethenylideneamino)-5-[3-(5-fluoro-2-methylphenoxy)azetidin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-(ethenylideneamino)-5-[3-(5-fluoro-2-methylphenoxy)azetidin-1-yl]pyrazine-2-carboxamide is C=C=NNC(=O)c1cnc(N2CC(Oc3cc(F)ccc3C)C2)cn1.
What is the InChIKey of N-(ethenylideneamino)-5-[3-(5-fluoro-2-methylphenoxy)azetidin-1-yl]pyrazine-2-carboxamide?
The InChIKey is ZZVDLZODVZXNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-3-21-22-17(24)14-7-20-16(8-19-14)23-9-13(10-23)25-15-6-12(18)5-4-11(15)2/h4-8,13H,1,9-10H2,2H3,(H,22,24).
What are the key properties of N-(ethenylideneamino)-5-[3-(5-fluoro-2-methylphenoxy)azetidin-1-yl]pyrazine-2-carboxamide?
N-(ethenylideneamino)-5-[3-(5-fluoro-2-methylphenoxy)azetidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 341.35 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethenylideneamino)-5-[3-(5-fluoro-2-methylphenoxy)azetidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 58367564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).