methyl 6-(2-pyridin-3-ylethylamino)pyrazine-2-carboxylate

C13H14N4O2 — CID 66456102

IUPACmethyl 6-(2-pyridin-3-ylethylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCCc2cccnc2)n1
InChIInChI=1S/C13H14N4O2/c1-19-13(18)11-8-15-9-12(17-11)16-6-4-10-3-2-5-14-7-10/h2-3,5,7-9H,4,6H2,1H3,(H,16,17)
InChIKeyLAYGHNBZZLZKKJ-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.31
Rot. Bonds5

About methyl 6-(2-pyridin-3-ylethylamino)pyrazine-2-carboxylate

methyl 6-(2-pyridin-3-ylethylamino)pyrazine-2-carboxylate (PubChem CID 66456102) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is methyl 6-(2-pyridin-3-ylethylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-pyridin-3-ylethylamino)pyrazine-2-carboxylate
PubChem CID66456102
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Namemethyl 6-(2-pyridin-3-ylethylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCCc2cccnc2)n1
InChIInChI=1S/C13H14N4O2/c1-19-13(18)11-8-15-9-12(17-11)16-6-4-10-3-2-5-14-7-10/h2-3,5,7-9H,4,6H2,1H3,(H,16,17)
InChIKeyLAYGHNBZZLZKKJ-UHFFFAOYSA-N
XLogP1.31
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxylate
CID 66458088
methyl 6-[2-(2-methylphenyl)ethylamino]pyrazine-2-carboxylate
CID 79749113
6-N-ethyl-2-N-(2-pyridin-3-ylethyl)pyrazine-2,6-diamine
CID 78990149
methyl 6-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate
CID 66457279
3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid
CID 66454375
methyl 6-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylate
CID 113247403
methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate
CID 112616794
methyl 6-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylate
CID 66457684
methyl 6-[2-(3-aminophenoxy)ethylamino]pyrazine-2-carboxylate
CID 66457557
methyl 6-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carboxylate
CID 114175311
methyl 4-(2-pyridin-3-ylethyl)benzoate
CID 19419104
6-(propylamino)-N-(2-pyridin-3-ylethyl)pyridine-2-carboxamide
CID 62240151

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-pyridin-3-ylethylamino)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(2-pyridin-3-ylethylamino)pyrazine-2-carboxylate (CID 66456102) is methyl 6-(2-pyridin-3-ylethylamino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(2-pyridin-3-ylethylamino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(2-pyridin-3-ylethylamino)pyrazine-2-carboxylate is COC(=O)c1cncc(NCCc2cccnc2)n1.
What is the InChIKey of methyl 6-(2-pyridin-3-ylethylamino)pyrazine-2-carboxylate?
The InChIKey is LAYGHNBZZLZKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-19-13(18)11-8-15-9-12(17-11)16-6-4-10-3-2-5-14-7-10/h2-3,5,7-9H,4,6H2,1H3,(H,16,17).
What are the key properties of methyl 6-(2-pyridin-3-ylethylamino)pyrazine-2-carboxylate?
methyl 6-(2-pyridin-3-ylethylamino)pyrazine-2-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-pyridin-3-ylethylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 66456102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).