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

C14H14FN3O2 — CID 66457279

IUPACmethyl 6-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCCc2ccccc2F)n1
InChIInChI=1S/C14H14FN3O2/c1-20-14(19)12-8-16-9-13(18-12)17-7-6-10-4-2-3-5-11(10)15/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyOVOACLPVTMRVJZ-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.06
Rot. Bonds5

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

methyl 6-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate (PubChem CID 66457279) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is methyl 6-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate
PubChem CID66457279
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Namemethyl 6-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCCc2ccccc2F)n1
InChIInChI=1S/C14H14FN3O2/c1-20-14(19)12-8-16-9-13(18-12)17-7-6-10-4-2-3-5-11(10)15/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyOVOACLPVTMRVJZ-UHFFFAOYSA-N
XLogP2.06
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[2-(2-methylphenyl)ethylamino]pyrazine-2-carboxylate
CID 79749113
methyl 6-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxylate
CID 66458088
methyl 6-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carboxylate
CID 114175311
methyl 6-[1-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate
CID 66456508
methyl 2-[2-(2-fluorophenyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569591
N-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine
CID 114475197
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-4-methoxybenzamide
CID 113028186
methyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate
CID 66456697
methyl 2-[[5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]benzoate
CID 109236389
5-[2-(2-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109236376
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-2,6-dimethoxybenzamide
CID 113028188
6-chloro-N-[2-(2-methylphenyl)ethyl]pyrazin-2-amine
CID 47151369

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate (CID 66457279) is methyl 6-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate is COC(=O)c1cncc(NCCc2ccccc2F)n1.
What is the InChIKey of methyl 6-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate?
The InChIKey is OVOACLPVTMRVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-20-14(19)12-8-16-9-13(18-12)17-7-6-10-4-2-3-5-11(10)15/h2-5,8-9H,6-7H2,1H3,(H,17,18).
What are the key properties of methyl 6-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate?
methyl 6-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate has a molecular weight of 275.28 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate is sourced from PubChem (CID 66457279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).