methyl 6-[(3-methoxyphenyl)methyl-methylamino]pyrazine-2-carboxylate

C15H17N3O3 — CID 66455869

IUPACmethyl 6-[(3-methoxyphenyl)methyl-methylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N(C)Cc2cccc(OC)c2)n1
InChIInChI=1S/C15H17N3O3/c1-18(10-11-5-4-6-12(7-11)20-2)14-9-16-8-13(17-14)15(19)21-3/h4-9H,10H2,1-3H3
InChIKeyXRUXGEMNZQQWJM-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.91
Rot. Bonds5

About methyl 6-[(3-methoxyphenyl)methyl-methylamino]pyrazine-2-carboxylate

methyl 6-[(3-methoxyphenyl)methyl-methylamino]pyrazine-2-carboxylate (PubChem CID 66455869) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 6-[(3-methoxyphenyl)methyl-methylamino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3-methoxyphenyl)methyl-methylamino]pyrazine-2-carboxylate
PubChem CID66455869
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Namemethyl 6-[(3-methoxyphenyl)methyl-methylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N(C)Cc2cccc(OC)c2)n1
InChIInChI=1S/C15H17N3O3/c1-18(10-11-5-4-6-12(7-11)20-2)14-9-16-8-13(17-14)15(19)21-3/h4-9H,10H2,1-3H3
InChIKeyXRUXGEMNZQQWJM-UHFFFAOYSA-N
XLogP1.91
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[(3-chlorophenyl)methyl-methylamino]pyrazine-2-carboxylate
CID 66458224
6-N-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrazine-2,6-diamine
CID 78917983
methyl 6-[(5-bromothiophen-3-yl)methyl-methylamino]pyrazine-2-carboxylate
CID 66452032
methyl 2-[(3-methoxyphenyl)methyl-methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115424187
methyl 2-[(3-methoxyphenyl)methyl-methylamino]benzoate
CID 60694372
methyl 6-(3-methoxyphenoxy)pyrazine-2-carboxylate
CID 66457667
methyl 6-(3-methoxyphenyl)pyrazine-2-carboxylate
CID 167450731
2-chloro-6-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 61417811
6-bromo-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 63962800
2-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 60709004
N-[(3-methoxyphenyl)methyl]-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 171690653
4-N-[(3-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794833

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-methoxyphenyl)methyl-methylamino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[(3-methoxyphenyl)methyl-methylamino]pyrazine-2-carboxylate (CID 66455869) is methyl 6-[(3-methoxyphenyl)methyl-methylamino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[(3-methoxyphenyl)methyl-methylamino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[(3-methoxyphenyl)methyl-methylamino]pyrazine-2-carboxylate is COC(=O)c1cncc(N(C)Cc2cccc(OC)c2)n1.
What is the InChIKey of methyl 6-[(3-methoxyphenyl)methyl-methylamino]pyrazine-2-carboxylate?
The InChIKey is XRUXGEMNZQQWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-18(10-11-5-4-6-12(7-11)20-2)14-9-16-8-13(17-14)15(19)21-3/h4-9H,10H2,1-3H3.
What are the key properties of methyl 6-[(3-methoxyphenyl)methyl-methylamino]pyrazine-2-carboxylate?
methyl 6-[(3-methoxyphenyl)methyl-methylamino]pyrazine-2-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-methoxyphenyl)methyl-methylamino]pyrazine-2-carboxylate is sourced from PubChem (CID 66455869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).