methyl 6-(5-methyl-3-pyridinyl)-3-pyrazin-2-ylpyrazine-2-carboxylate

C16H13N5O2 — CID 66687074

IUPACmethyl 6-(5-methyl-3-pyridinyl)-3-pyrazin-2-ylpyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cncc(C)c2)cnc1-c1cnccn1
InChIInChI=1S/C16H13N5O2/c1-10-5-11(7-18-6-10)12-9-20-14(13-8-17-3-4-19-13)15(21-12)16(22)23-2/h3-9H,1-2H3
InChIKeyIWFDLJZDFFSAHM-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.09
Rot. Bonds3

About methyl 6-(5-methyl-3-pyridinyl)-3-pyrazin-2-ylpyrazine-2-carboxylate

methyl 6-(5-methyl-3-pyridinyl)-3-pyrazin-2-ylpyrazine-2-carboxylate (PubChem CID 66687074) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is methyl 6-(5-methyl-3-pyridinyl)-3-pyrazin-2-ylpyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(5-methyl-3-pyridinyl)-3-pyrazin-2-ylpyrazine-2-carboxylate
PubChem CID66687074
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC Namemethyl 6-(5-methyl-3-pyridinyl)-3-pyrazin-2-ylpyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cncc(C)c2)cnc1-c1cnccn1
InChIInChI=1S/C16H13N5O2/c1-10-5-11(7-18-6-10)12-9-20-14(13-8-17-3-4-19-13)15(21-12)16(22)23-2/h3-9H,1-2H3
InChIKeyIWFDLJZDFFSAHM-UHFFFAOYSA-N
XLogP2.09
TPSA90.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(5-methyl-3-pyridinyl)-3-pyrazin-2-ylpyrazine-2-carboxylate?
The IUPAC name of methyl 6-(5-methyl-3-pyridinyl)-3-pyrazin-2-ylpyrazine-2-carboxylate (CID 66687074) is methyl 6-(5-methyl-3-pyridinyl)-3-pyrazin-2-ylpyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(5-methyl-3-pyridinyl)-3-pyrazin-2-ylpyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(5-methyl-3-pyridinyl)-3-pyrazin-2-ylpyrazine-2-carboxylate is COC(=O)c1nc(-c2cncc(C)c2)cnc1-c1cnccn1.
What is the InChIKey of methyl 6-(5-methyl-3-pyridinyl)-3-pyrazin-2-ylpyrazine-2-carboxylate?
The InChIKey is IWFDLJZDFFSAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c1-10-5-11(7-18-6-10)12-9-20-14(13-8-17-3-4-19-13)15(21-12)16(22)23-2/h3-9H,1-2H3.
What are the key properties of methyl 6-(5-methyl-3-pyridinyl)-3-pyrazin-2-ylpyrazine-2-carboxylate?
methyl 6-(5-methyl-3-pyridinyl)-3-pyrazin-2-ylpyrazine-2-carboxylate has a molecular weight of 307.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(5-methyl-3-pyridinyl)-3-pyrazin-2-ylpyrazine-2-carboxylate is sourced from PubChem (CID 66687074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).