methyl 6-(N-ethyl-4-fluoroanilino)pyrazine-2-carboxylate

C14H14FN3O2 — CID 66451088

IUPACmethyl 6-(N-ethyl-4-fluoroanilino)pyrazine-2-carboxylate
SMILESCCN(c1ccc(F)cc1)c1cncc(C(=O)OC)n1
InChIInChI=1S/C14H14FN3O2/c1-3-18(11-6-4-10(15)5-7-11)13-9-16-8-12(17-13)14(19)20-2/h4-9H,3H2,1-2H3
InChIKeyJPCZQRUOSPTPQV-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.56
Rot. Bonds4

About methyl 6-(N-ethyl-4-fluoroanilino)pyrazine-2-carboxylate

methyl 6-(N-ethyl-4-fluoroanilino)pyrazine-2-carboxylate (PubChem CID 66451088) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is methyl 6-(N-ethyl-4-fluoroanilino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(N-ethyl-4-fluoroanilino)pyrazine-2-carboxylate
PubChem CID66451088
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Namemethyl 6-(N-ethyl-4-fluoroanilino)pyrazine-2-carboxylate
SMILESCCN(c1ccc(F)cc1)c1cncc(C(=O)OC)n1
InChIInChI=1S/C14H14FN3O2/c1-3-18(11-6-4-10(15)5-7-11)13-9-16-8-12(17-13)14(19)20-2/h4-9H,3H2,1-2H3
InChIKeyJPCZQRUOSPTPQV-UHFFFAOYSA-N
XLogP2.56
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylate
CID 79390457
methyl 6-[2-aminoethyl(ethyl)amino]pyrazine-2-carboxylate
CID 114900602
methyl 6-(4-carbamothioyl-N-methylanilino)pyrazine-2-carboxylate
CID 66455881
methyl 6-[bis(2-methoxy-2-oxoethyl)amino]pyrazine-2-carboxylate
CID 66456232
methyl 6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate
CID 66456426
methyl 6-(4-cyano-N-methylanilino)pyrazine-2-carboxylate
CID 66456266
methyl 6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylate
CID 102994007
methyl 6-[1-methoxypropan-2-yl(methyl)amino]pyrazine-2-carboxylate
CID 66456064
methyl 6-[ethyl(piperidin-4-ylmethyl)amino]pyrazine-2-carboxylate
CID 79719385
methyl 6-[azetidin-3-yl(propyl)amino]pyrazine-2-carboxylate
CID 66458156
6-(N-ethyl-2-fluoroanilino)pyrazine-2-carboxylic acid
CID 66450893
methyl 3-amino-2-(N-ethyl-4-fluoroanilino)benzoate
CID 115934783

Frequently Asked Questions

What is the IUPAC name of methyl 6-(N-ethyl-4-fluoroanilino)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(N-ethyl-4-fluoroanilino)pyrazine-2-carboxylate (CID 66451088) is methyl 6-(N-ethyl-4-fluoroanilino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(N-ethyl-4-fluoroanilino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(N-ethyl-4-fluoroanilino)pyrazine-2-carboxylate is CCN(c1ccc(F)cc1)c1cncc(C(=O)OC)n1.
What is the InChIKey of methyl 6-(N-ethyl-4-fluoroanilino)pyrazine-2-carboxylate?
The InChIKey is JPCZQRUOSPTPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-3-18(11-6-4-10(15)5-7-11)13-9-16-8-12(17-13)14(19)20-2/h4-9H,3H2,1-2H3.
What are the key properties of methyl 6-(N-ethyl-4-fluoroanilino)pyrazine-2-carboxylate?
methyl 6-(N-ethyl-4-fluoroanilino)pyrazine-2-carboxylate has a molecular weight of 275.28 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(N-ethyl-4-fluoroanilino)pyrazine-2-carboxylate is sourced from PubChem (CID 66451088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).