(3,5,6-trimethylpyrazin-2-yl)methyl pyridine-3-carboxylate

C14H15N3O2 — CID 10264430

IUPAC(3,5,6-trimethylpyrazin-2-yl)methyl pyridine-3-carboxylate
SMILESCc1nc(C)c(COC(=O)c2cccnc2)nc1C
InChIInChI=1S/C14H15N3O2/c1-9-10(2)17-13(11(3)16-9)8-19-14(18)12-5-4-6-15-7-12/h4-7H,8H2,1-3H3
InChIKeyVGEJYFJPSPQAAX-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.15
Rot. Bonds3

About (3,5,6-trimethylpyrazin-2-yl)methyl pyridine-3-carboxylate

(3,5,6-trimethylpyrazin-2-yl)methyl pyridine-3-carboxylate (PubChem CID 10264430) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is (3,5,6-trimethylpyrazin-2-yl)methyl pyridine-3-carboxylate.

Molecular Properties

Compound Name(3,5,6-trimethylpyrazin-2-yl)methyl pyridine-3-carboxylate
PubChem CID10264430
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name(3,5,6-trimethylpyrazin-2-yl)methyl pyridine-3-carboxylate
SMILESCc1nc(C)c(COC(=O)c2cccnc2)nc1C
InChIInChI=1S/C14H15N3O2/c1-9-10(2)17-13(11(3)16-9)8-19-14(18)12-5-4-6-15-7-12/h4-7H,8H2,1-3H3
InChIKeyVGEJYFJPSPQAAX-UHFFFAOYSA-N
XLogP2.15
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5,6-trimethylpyrazin-2-yl)methyl pyridine-3-carboxylate?
The IUPAC name of (3,5,6-trimethylpyrazin-2-yl)methyl pyridine-3-carboxylate (CID 10264430) is (3,5,6-trimethylpyrazin-2-yl)methyl pyridine-3-carboxylate.
What is the SMILES notation for (3,5,6-trimethylpyrazin-2-yl)methyl pyridine-3-carboxylate?
The canonical SMILES for (3,5,6-trimethylpyrazin-2-yl)methyl pyridine-3-carboxylate is Cc1nc(C)c(COC(=O)c2cccnc2)nc1C.
What is the InChIKey of (3,5,6-trimethylpyrazin-2-yl)methyl pyridine-3-carboxylate?
The InChIKey is VGEJYFJPSPQAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-10(2)17-13(11(3)16-9)8-19-14(18)12-5-4-6-15-7-12/h4-7H,8H2,1-3H3.
What are the key properties of (3,5,6-trimethylpyrazin-2-yl)methyl pyridine-3-carboxylate?
(3,5,6-trimethylpyrazin-2-yl)methyl pyridine-3-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5,6-trimethylpyrazin-2-yl)methyl pyridine-3-carboxylate is sourced from PubChem (CID 10264430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).