5-[2-(3-methoxypropoxy)ethyl-methylamino]pyrazine-2-carboxylic acid

C12H19N3O4 — CID 122054723

IUPAC5-[2-(3-methoxypropoxy)ethyl-methylamino]pyrazine-2-carboxylic acid
SMILESCOCCCOCCN(C)c1cnc(C(=O)O)cn1
InChIInChI=1S/C12H19N3O4/c1-15(4-7-19-6-3-5-18-2)11-9-13-10(8-14-11)12(16)17/h8-9H,3-7H2,1-2H3,(H,16,17)
InChIKeyMWKXRCYQJOUQAU-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.66
Rot. Bonds9

About 5-[2-(3-methoxypropoxy)ethyl-methylamino]pyrazine-2-carboxylic acid

5-[2-(3-methoxypropoxy)ethyl-methylamino]pyrazine-2-carboxylic acid (PubChem CID 122054723) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-[2-(3-methoxypropoxy)ethyl-methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(3-methoxypropoxy)ethyl-methylamino]pyrazine-2-carboxylic acid
PubChem CID122054723
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name5-[2-(3-methoxypropoxy)ethyl-methylamino]pyrazine-2-carboxylic acid
SMILESCOCCCOCCN(C)c1cnc(C(=O)O)cn1
InChIInChI=1S/C12H19N3O4/c1-15(4-7-19-6-3-5-18-2)11-9-13-10(8-14-11)12(16)17/h8-9H,3-7H2,1-2H3,(H,16,17)
InChIKeyMWKXRCYQJOUQAU-UHFFFAOYSA-N
XLogP0.66
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]pyrazine-2-carboxylic acid
CID 122052812
5-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]pyrazine-2-carboxylic acid
CID 122048923
6-[3-methoxypropyl(methyl)amino]pyridine-2-carboxylic acid
CID 63009746
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrazine-2-carboxylic acid
CID 104567375
5-[(3,5-dimethoxyphenyl)methyl-methylamino]pyrazine-2-carboxylic acid
CID 122053247
6-(3-methoxypropoxy)pyrazine-2-carboxylic acid
CID 66455715
5-[(3-hydroxycyclobutyl)methyl-methylamino]pyrazine-2-carboxylic acid
CID 107372474
2-[2-(3-methoxypropoxy)ethyl-methylamino]acetic acid
CID 103181230
5-[[[3-methoxypropyl(methyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81095514
methyl 5-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboxylate
CID 114059688
6-[3-methoxypropyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 55140872
2-[3-methoxypropyl(methyl)amino]-1,3-thiazole-5-carboxylic acid
CID 63009264

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methoxypropoxy)ethyl-methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[2-(3-methoxypropoxy)ethyl-methylamino]pyrazine-2-carboxylic acid (CID 122054723) is 5-[2-(3-methoxypropoxy)ethyl-methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(3-methoxypropoxy)ethyl-methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[2-(3-methoxypropoxy)ethyl-methylamino]pyrazine-2-carboxylic acid is COCCCOCCN(C)c1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[2-(3-methoxypropoxy)ethyl-methylamino]pyrazine-2-carboxylic acid?
The InChIKey is MWKXRCYQJOUQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-15(4-7-19-6-3-5-18-2)11-9-13-10(8-14-11)12(16)17/h8-9H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 5-[2-(3-methoxypropoxy)ethyl-methylamino]pyrazine-2-carboxylic acid?
5-[2-(3-methoxypropoxy)ethyl-methylamino]pyrazine-2-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 0.66, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methoxypropoxy)ethyl-methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122054723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).