methyl 6-[1-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate

C14H14FN3O2 — CID 66456508

IUPACmethyl 6-[1-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC(C)c2ccccc2F)n1
InChIInChI=1S/C14H14FN3O2/c1-9(10-5-3-4-6-11(10)15)17-13-8-16-7-12(18-13)14(19)20-2/h3-9H,1-2H3,(H,17,18)
InChIKeyAVDPYPZZXWCIGW-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.58
Rot. Bonds4

About methyl 6-[1-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate

methyl 6-[1-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate (PubChem CID 66456508) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is methyl 6-[1-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[1-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate
PubChem CID66456508
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Namemethyl 6-[1-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC(C)c2ccccc2F)n1
InChIInChI=1S/C14H14FN3O2/c1-9(10-5-3-4-6-11(10)15)17-13-8-16-7-12(18-13)14(19)20-2/h3-9H,1-2H3,(H,17,18)
InChIKeyAVDPYPZZXWCIGW-UHFFFAOYSA-N
XLogP2.58
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[1-(2-fluorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine
CID 80802046
methyl 6-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylate
CID 66457684
methyl 6-[1-(1H-pyrazol-4-yl)ethylamino]pyrazine-2-carboxylate
CID 114159121
methyl 6-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carboxylate
CID 104828596
methyl 6-(4-phenylbutan-2-ylamino)pyrazine-2-carboxylate
CID 66456714
methyl 6-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate
CID 66457279
methyl 6-(2-fluorophenyl)pyrazine-2-carboxylate
CID 167450752
methyl 6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate
CID 66455747
methyl 6-(4-methylhexan-2-ylamino)pyrazine-2-carboxylate
CID 66456931
6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine
CID 63586892
2-[(6-methoxycarbonylpyrazin-2-yl)amino]pentanoic acid
CID 66454589
methyl 6-(4-chloro-2-fluoroanilino)pyrazine-2-carboxylate
CID 66451231

Frequently Asked Questions

What is the IUPAC name of methyl 6-[1-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[1-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate (CID 66456508) is methyl 6-[1-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[1-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[1-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate is COC(=O)c1cncc(NC(C)c2ccccc2F)n1.
What is the InChIKey of methyl 6-[1-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate?
The InChIKey is AVDPYPZZXWCIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-9(10-5-3-4-6-11(10)15)17-13-8-16-7-12(18-13)14(19)20-2/h3-9H,1-2H3,(H,17,18).
What are the key properties of methyl 6-[1-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate?
methyl 6-[1-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate has a molecular weight of 275.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[1-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate is sourced from PubChem (CID 66456508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).