(3-methoxy-4-methylphenyl)methyl pyrazine-2-carboxylate

C14H14N2O3 — CID 71874306

IUPAC(3-methoxy-4-methylphenyl)methyl pyrazine-2-carboxylate
SMILESCOc1cc(COC(=O)c2cnccn2)ccc1C
InChIInChI=1S/C14H14N2O3/c1-10-3-4-11(7-13(10)18-2)9-19-14(17)12-8-15-5-6-16-12/h3-8H,9H2,1-2H3
InChIKeyDBGLMLMGBXTPPB-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.15
Rot. Bonds4

About (3-methoxy-4-methylphenyl)methyl pyrazine-2-carboxylate

(3-methoxy-4-methylphenyl)methyl pyrazine-2-carboxylate (PubChem CID 71874306) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is (3-methoxy-4-methylphenyl)methyl pyrazine-2-carboxylate.

Molecular Properties

Compound Name(3-methoxy-4-methylphenyl)methyl pyrazine-2-carboxylate
PubChem CID71874306
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name(3-methoxy-4-methylphenyl)methyl pyrazine-2-carboxylate
SMILESCOc1cc(COC(=O)c2cnccn2)ccc1C
InChIInChI=1S/C14H14N2O3/c1-10-3-4-11(7-13(10)18-2)9-19-14(17)12-8-15-5-6-16-12/h3-8H,9H2,1-2H3
InChIKeyDBGLMLMGBXTPPB-UHFFFAOYSA-N
XLogP2.15
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethylphenyl)methyl pyrazine-2-carboxylate
CID 17428240
ethyl pyrazine-2-carboxylate;dihydrochloride
CID 141471889
2-methoxy-4-(methoxymethyl)-1-methylbenzene
CID 91136887
[2-(2-methoxyanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 2355502
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide
CID 56809138
(2,5-dimethoxyphenyl)-pyrazin-2-ylmethanone
CID 62802669
1-[(3-methoxy-4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 60569732
[4-[(5-methylpyrazine-2-carbonyl)oxymethyl]phenyl]methyl 5-methylpyrazine-2-carboxylate
CID 2458017
(2-pyridin-3-yloxyphenyl)methyl 2-(3-methoxy-4-methylphenyl)acetate
CID 56508118
N'-[2-(2,5-dimethylphenoxy)acetyl]pyrazine-2-carbohydrazide
CID 38009598
2-(3,4-dimethoxyphenyl)-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 108548030
[2-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] pyrazine-2-carboxylate
CID 2641329

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-methylphenyl)methyl pyrazine-2-carboxylate?
The IUPAC name of (3-methoxy-4-methylphenyl)methyl pyrazine-2-carboxylate (CID 71874306) is (3-methoxy-4-methylphenyl)methyl pyrazine-2-carboxylate.
What is the SMILES notation for (3-methoxy-4-methylphenyl)methyl pyrazine-2-carboxylate?
The canonical SMILES for (3-methoxy-4-methylphenyl)methyl pyrazine-2-carboxylate is COc1cc(COC(=O)c2cnccn2)ccc1C.
What is the InChIKey of (3-methoxy-4-methylphenyl)methyl pyrazine-2-carboxylate?
The InChIKey is DBGLMLMGBXTPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-10-3-4-11(7-13(10)18-2)9-19-14(17)12-8-15-5-6-16-12/h3-8H,9H2,1-2H3.
What are the key properties of (3-methoxy-4-methylphenyl)methyl pyrazine-2-carboxylate?
(3-methoxy-4-methylphenyl)methyl pyrazine-2-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-methylphenyl)methyl pyrazine-2-carboxylate is sourced from PubChem (CID 71874306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).