ethyl 5-[6-(3-fluoroanilino)pyrazin-2-yl]pyridine-3-carboxylate

C18H15FN4O2 — CID 11427715

IUPACethyl 5-[6-(3-fluoroanilino)pyrazin-2-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(-c2cncc(Nc3cccc(F)c3)n2)c1
InChIInChI=1S/C18H15FN4O2/c1-2-25-18(24)13-6-12(8-20-9-13)16-10-21-11-17(23-16)22-15-5-3-4-14(19)7-15/h3-11H,2H2,1H3,(H,22,23)
InChIKeyNAYGYACVMNBDMM-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.60
Rot. Bonds5

About ethyl 5-[6-(3-fluoroanilino)pyrazin-2-yl]pyridine-3-carboxylate

ethyl 5-[6-(3-fluoroanilino)pyrazin-2-yl]pyridine-3-carboxylate (PubChem CID 11427715) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is ethyl 5-[6-(3-fluoroanilino)pyrazin-2-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[6-(3-fluoroanilino)pyrazin-2-yl]pyridine-3-carboxylate
PubChem CID11427715
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Nameethyl 5-[6-(3-fluoroanilino)pyrazin-2-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(-c2cncc(Nc3cccc(F)c3)n2)c1
InChIInChI=1S/C18H15FN4O2/c1-2-25-18(24)13-6-12(8-20-9-13)16-10-21-11-17(23-16)22-15-5-3-4-14(19)7-15/h3-11H,2H2,1H3,(H,22,23)
InChIKeyNAYGYACVMNBDMM-UHFFFAOYSA-N
XLogP3.60
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[6-(3-fluoroanilino)pyrazin-2-yl]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[6-(3-fluoroanilino)pyrazin-2-yl]pyridine-3-carboxylate (CID 11427715) is ethyl 5-[6-(3-fluoroanilino)pyrazin-2-yl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[6-(3-fluoroanilino)pyrazin-2-yl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[6-(3-fluoroanilino)pyrazin-2-yl]pyridine-3-carboxylate is CCOC(=O)c1cncc(-c2cncc(Nc3cccc(F)c3)n2)c1.
What is the InChIKey of ethyl 5-[6-(3-fluoroanilino)pyrazin-2-yl]pyridine-3-carboxylate?
The InChIKey is NAYGYACVMNBDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-2-25-18(24)13-6-12(8-20-9-13)16-10-21-11-17(23-16)22-15-5-3-4-14(19)7-15/h3-11H,2H2,1H3,(H,22,23).
What are the key properties of ethyl 5-[6-(3-fluoroanilino)pyrazin-2-yl]pyridine-3-carboxylate?
ethyl 5-[6-(3-fluoroanilino)pyrazin-2-yl]pyridine-3-carboxylate has a molecular weight of 338.34 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[6-(3-fluoroanilino)pyrazin-2-yl]pyridine-3-carboxylate is sourced from PubChem (CID 11427715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).