methyl 6-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxylate

C14H14ClN3O2 — CID 66458088

IUPACmethyl 6-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H14ClN3O2/c1-20-14(19)12-8-16-9-13(18-12)17-7-6-10-2-4-11(15)5-3-10/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyOVVHGIDIRIUOIR-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.57
Rot. Bonds5

About methyl 6-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxylate

methyl 6-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxylate (PubChem CID 66458088) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is methyl 6-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxylate
PubChem CID66458088
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Namemethyl 6-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H14ClN3O2/c1-20-14(19)12-8-16-9-13(18-12)17-7-6-10-2-4-11(15)5-3-10/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyOVVHGIDIRIUOIR-UHFFFAOYSA-N
XLogP2.57
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(2-pyridin-3-ylethylamino)pyrazine-2-carboxylate
CID 66456102
methyl 6-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate
CID 66457279
methyl 6-[2-(2-methylphenyl)ethylamino]pyrazine-2-carboxylate
CID 79749113
3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid
CID 66454375
methyl 6-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyrazine-2-carboxylate
CID 66455940
methyl 6-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carboxylate
CID 114175311
methyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate
CID 66456697
methyl 6-(4-chloro-2-fluoroanilino)pyrazine-2-carboxylate
CID 66451231
methyl 6-(4-chlorophenyl)sulfanylpyrazine-2-carboxylate
CID 66452135
methyl 6-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylate
CID 113247403
methyl 6-(2-pyrrolidin-2-ylethylamino)pyrazine-2-carboxylate
CID 114794650
N-[2-(4-chlorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine
CID 114475522

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxylate (CID 66458088) is methyl 6-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxylate is COC(=O)c1cncc(NCCc2ccc(Cl)cc2)n1.
What is the InChIKey of methyl 6-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxylate?
The InChIKey is OVVHGIDIRIUOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-20-14(19)12-8-16-9-13(18-12)17-7-6-10-2-4-11(15)5-3-10/h2-5,8-9H,6-7H2,1H3,(H,17,18).
What are the key properties of methyl 6-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxylate?
methyl 6-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxylate has a molecular weight of 291.74 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxylate is sourced from PubChem (CID 66458088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).