methyl 6-[3-(methoxymethyl)anilino]pyrazine-2-carboxylate

C14H15N3O3 — CID 66451042

IUPACmethyl 6-[3-(methoxymethyl)anilino]pyrazine-2-carboxylate
SMILESCOCc1cccc(Nc2cncc(C(=O)OC)n2)c1
InChIInChI=1S/C14H15N3O3/c1-19-9-10-4-3-5-11(6-10)16-13-8-15-7-12(17-13)14(18)20-2/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyNWOAZOCTSHFGGQ-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.15
Rot. Bonds5

About methyl 6-[3-(methoxymethyl)anilino]pyrazine-2-carboxylate

methyl 6-[3-(methoxymethyl)anilino]pyrazine-2-carboxylate (PubChem CID 66451042) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 6-[3-(methoxymethyl)anilino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-(methoxymethyl)anilino]pyrazine-2-carboxylate
PubChem CID66451042
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Namemethyl 6-[3-(methoxymethyl)anilino]pyrazine-2-carboxylate
SMILESCOCc1cccc(Nc2cncc(C(=O)OC)n2)c1
InChIInChI=1S/C14H15N3O3/c1-19-9-10-4-3-5-11(6-10)16-13-8-15-7-12(17-13)14(18)20-2/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyNWOAZOCTSHFGGQ-UHFFFAOYSA-N
XLogP2.15
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[3-(2-aminoethoxy)anilino]pyrazine-2-carboxylate
CID 66456161
methyl 6-(3,4-dichloroanilino)pyrazine-2-carboxylate
CID 66457541
5-[3-(methoxymethyl)anilino]pyrazine-2-carboxylic acid
CID 107372372
methyl 6-(4-methylanilino)pyrazine-2-carboxylate
CID 66455786
methyl 6-(4-acetamidoanilino)pyrazine-2-carboxylate
CID 66456378
methyl 6-(4-aminoanilino)pyrazine-2-carboxylate
CID 66456957
methyl 6-(1-benzothiophen-5-ylamino)pyrazine-2-carboxylate
CID 66451733
6-(3-methylanilino)pyrazine-2-carboxylic acid
CID 66455982
methyl 3-amino-2-[3-(methoxymethyl)anilino]benzoate
CID 115934435
methyl 6-(3-bromo-2-methylanilino)pyrazine-2-carboxylate
CID 107636036
N-(3-ethylphenyl)-6-hydrazinylpyrazin-2-amine
CID 80927434
4-N-[3-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112726133

Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-(methoxymethyl)anilino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[3-(methoxymethyl)anilino]pyrazine-2-carboxylate (CID 66451042) is methyl 6-[3-(methoxymethyl)anilino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[3-(methoxymethyl)anilino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[3-(methoxymethyl)anilino]pyrazine-2-carboxylate is COCc1cccc(Nc2cncc(C(=O)OC)n2)c1.
What is the InChIKey of methyl 6-[3-(methoxymethyl)anilino]pyrazine-2-carboxylate?
The InChIKey is NWOAZOCTSHFGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-19-9-10-4-3-5-11(6-10)16-13-8-15-7-12(17-13)14(18)20-2/h3-8H,9H2,1-2H3,(H,16,17).
What are the key properties of methyl 6-[3-(methoxymethyl)anilino]pyrazine-2-carboxylate?
methyl 6-[3-(methoxymethyl)anilino]pyrazine-2-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-(methoxymethyl)anilino]pyrazine-2-carboxylate is sourced from PubChem (CID 66451042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).