5-[(3,5-dimethoxyphenyl)methyl-methylamino]pyrazine-2-carboxylic acid

C15H17N3O4 — CID 122053247

IUPAC5-[(3,5-dimethoxyphenyl)methyl-methylamino]pyrazine-2-carboxylic acid
SMILESCOc1cc(CN(C)c2cnc(C(=O)O)cn2)cc(OC)c1
InChIInChI=1S/C15H17N3O4/c1-18(14-8-16-13(7-17-14)15(19)20)9-10-4-11(21-2)6-12(5-10)22-3/h4-8H,9H2,1-3H3,(H,19,20)
InChIKeyFPMKUGXKOVNEBD-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.83
Rot. Bonds6

About 5-[(3,5-dimethoxyphenyl)methyl-methylamino]pyrazine-2-carboxylic acid

5-[(3,5-dimethoxyphenyl)methyl-methylamino]pyrazine-2-carboxylic acid (PubChem CID 122053247) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 5-[(3,5-dimethoxyphenyl)methyl-methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3,5-dimethoxyphenyl)methyl-methylamino]pyrazine-2-carboxylic acid
PubChem CID122053247
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name5-[(3,5-dimethoxyphenyl)methyl-methylamino]pyrazine-2-carboxylic acid
SMILESCOc1cc(CN(C)c2cnc(C(=O)O)cn2)cc(OC)c1
InChIInChI=1S/C15H17N3O4/c1-18(14-8-16-13(7-17-14)15(19)20)9-10-4-11(21-2)6-12(5-10)22-3/h4-8H,9H2,1-3H3,(H,19,20)
InChIKeyFPMKUGXKOVNEBD-UHFFFAOYSA-N
XLogP1.83
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethoxyphenyl)methyl-methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(3,5-dimethoxyphenyl)methyl-methylamino]pyrazine-2-carboxylic acid (CID 122053247) is 5-[(3,5-dimethoxyphenyl)methyl-methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(3,5-dimethoxyphenyl)methyl-methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(3,5-dimethoxyphenyl)methyl-methylamino]pyrazine-2-carboxylic acid is COc1cc(CN(C)c2cnc(C(=O)O)cn2)cc(OC)c1.
What is the InChIKey of 5-[(3,5-dimethoxyphenyl)methyl-methylamino]pyrazine-2-carboxylic acid?
The InChIKey is FPMKUGXKOVNEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-18(14-8-16-13(7-17-14)15(19)20)9-10-4-11(21-2)6-12(5-10)22-3/h4-8H,9H2,1-3H3,(H,19,20).
What are the key properties of 5-[(3,5-dimethoxyphenyl)methyl-methylamino]pyrazine-2-carboxylic acid?
5-[(3,5-dimethoxyphenyl)methyl-methylamino]pyrazine-2-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethoxyphenyl)methyl-methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122053247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).