N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-3-methylbenzamide

C17H13FN4O2 — CID 118707797

IUPACN-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cncc(Oc3cncc(F)c3)n2)c1
InChIInChI=1S/C17H13FN4O2/c1-11-3-2-4-12(5-11)17(23)22-15-9-20-10-16(21-15)24-14-6-13(18)7-19-8-14/h2-10H,1H3,(H,21,22,23)
InChIKeyRQLJUXLSWLPNAK-UHFFFAOYSA-N
MW324.32 g/mol
LogP3.36
Rot. Bonds4

About N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-3-methylbenzamide

N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-3-methylbenzamide (PubChem CID 118707797) has the molecular formula C17H13FN4O2 and a molecular weight of 324.32 g/mol. Its IUPAC name is N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-3-methylbenzamide
PubChem CID118707797
Molecular FormulaC17H13FN4O2
Molecular Weight324.32 g/mol
Exact Mass324.10
IUPAC NameN-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cncc(Oc3cncc(F)c3)n2)c1
InChIInChI=1S/C17H13FN4O2/c1-11-3-2-4-12(5-11)17(23)22-15-9-20-10-16(21-15)24-14-6-13(18)7-19-8-14/h2-10H,1H3,(H,21,22,23)
InChIKeyRQLJUXLSWLPNAK-UHFFFAOYSA-N
XLogP3.36
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-3-methylbenzamide?
The IUPAC name of N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-3-methylbenzamide (CID 118707797) is N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2cncc(Oc3cncc(F)c3)n2)c1.
What is the InChIKey of N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-3-methylbenzamide?
The InChIKey is RQLJUXLSWLPNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2/c1-11-3-2-4-12(5-11)17(23)22-15-9-20-10-16(21-15)24-14-6-13(18)7-19-8-14/h2-10H,1H3,(H,21,22,23).
What are the key properties of N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-3-methylbenzamide?
N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-3-methylbenzamide has a molecular weight of 324.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-3-methylbenzamide is sourced from PubChem (CID 118707797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).