methyl 3-amino-5-(azepan-1-yl)-6-(furan-2-yl)pyrazine-2-carboxylate

C16H20N4O3 — CID 142340106

IUPACmethyl 3-amino-5-(azepan-1-yl)-6-(furan-2-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccco2)c(N2CCCCCC2)nc1N
InChIInChI=1S/C16H20N4O3/c1-22-16(21)13-14(17)19-15(20-8-4-2-3-5-9-20)12(18-13)11-7-6-10-23-11/h6-7,10H,2-5,8-9H2,1H3,(H2,17,19)
InChIKeyLIIZLCJWVJYPGZ-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.49
Rot. Bonds3

About methyl 3-amino-5-(azepan-1-yl)-6-(furan-2-yl)pyrazine-2-carboxylate

methyl 3-amino-5-(azepan-1-yl)-6-(furan-2-yl)pyrazine-2-carboxylate (PubChem CID 142340106) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is methyl 3-amino-5-(azepan-1-yl)-6-(furan-2-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(azepan-1-yl)-6-(furan-2-yl)pyrazine-2-carboxylate
PubChem CID142340106
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Namemethyl 3-amino-5-(azepan-1-yl)-6-(furan-2-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccco2)c(N2CCCCCC2)nc1N
InChIInChI=1S/C16H20N4O3/c1-22-16(21)13-14(17)19-15(20-8-4-2-3-5-9-20)12(18-13)11-7-6-10-23-11/h6-7,10H,2-5,8-9H2,1H3,(H2,17,19)
InChIKeyLIIZLCJWVJYPGZ-UHFFFAOYSA-N
XLogP2.49
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-amino-5-(azepan-1-yl)-6-phenylpyrazine-2-carboxylate
CID 58870289
methyl 3-amino-5-(azepan-1-yl)-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxylate
CID 142340133
methyl 3-amino-5-(azepan-1-yl)-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxylate
CID 142340098
methyl 1-(furan-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 14284076
methyl 5-(furan-2-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 53271156
5-(furan-2-yl)-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]-1H-pyrazole-3-carboxamide
CID 90492065
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
methyl 4-amino-2-(azepan-1-yl)-1,3-thiazole-5-carboxylate
CID 12856243
dimethyl 4-(furan-2-yl)-1,2-oxazole-3,5-dicarboxylate
CID 121005993
[2-amino-6-(furan-2-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 11173320
methyl 5-(furan-2-yl)-1,3-thiazole-4-carboxylate
CID 53271132
methyl 6-chloro-2-piperidin-1-ylpyridine-3-carboxylate
CID 167159073

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(azepan-1-yl)-6-(furan-2-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-5-(azepan-1-yl)-6-(furan-2-yl)pyrazine-2-carboxylate (CID 142340106) is methyl 3-amino-5-(azepan-1-yl)-6-(furan-2-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(azepan-1-yl)-6-(furan-2-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-(azepan-1-yl)-6-(furan-2-yl)pyrazine-2-carboxylate is COC(=O)c1nc(-c2ccco2)c(N2CCCCCC2)nc1N.
What is the InChIKey of methyl 3-amino-5-(azepan-1-yl)-6-(furan-2-yl)pyrazine-2-carboxylate?
The InChIKey is LIIZLCJWVJYPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-22-16(21)13-14(17)19-15(20-8-4-2-3-5-9-20)12(18-13)11-7-6-10-23-11/h6-7,10H,2-5,8-9H2,1H3,(H2,17,19).
What are the key properties of methyl 3-amino-5-(azepan-1-yl)-6-(furan-2-yl)pyrazine-2-carboxylate?
methyl 3-amino-5-(azepan-1-yl)-6-(furan-2-yl)pyrazine-2-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(azepan-1-yl)-6-(furan-2-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 142340106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).