3-[2-methoxyethyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid

C13H21N3O3 — CID 62702545

IUPAC3-[2-methoxyethyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid
SMILESCCC(CC)N(CCOC)c1nccnc1C(=O)O
InChIInChI=1S/C13H21N3O3/c1-4-10(5-2)16(8-9-19-3)12-11(13(17)18)14-6-7-15-12/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyJZYJUANCTRKJCN-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.82
Rot. Bonds8

About 3-[2-methoxyethyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid

3-[2-methoxyethyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid (PubChem CID 62702545) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[2-methoxyethyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-methoxyethyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid
PubChem CID62702545
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-[2-methoxyethyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid
SMILESCCC(CC)N(CCOC)c1nccnc1C(=O)O
InChIInChI=1S/C13H21N3O3/c1-4-10(5-2)16(8-9-19-3)12-11(13(17)18)14-6-7-15-12/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyJZYJUANCTRKJCN-UHFFFAOYSA-N
XLogP1.82
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[butan-2-yl(2-methoxyethyl)amino]pyrazine-2-carbothioamide
CID 62685655
3-[methyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid
CID 62701319
3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridine-2-carboxylic acid
CID 63075429
3-[2-methoxyethyl(pentan-3-yl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 62702376
3-[bis(2-ethoxyethyl)amino]pyrazine-2-carboxylic acid
CID 82960478
6-[2-methoxyethyl(pentan-3-yl)amino]pyridine-2-carboxylic acid
CID 55053038
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 82952199
5-chloro-4-[2-methoxyethyl(pentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136971115
3-fluoro-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 105382575
3-[bis(2-methoxyethyl)amino]pyrazine-2-carbothioamide
CID 62684960
5-(aminomethyl)-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylpyridin-2-amine
CID 80630796
3-[ethyl(2-methylbutyl)amino]pyrazine-2-carboxylic acid
CID 79470984

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[2-methoxyethyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid (CID 62702545) is 3-[2-methoxyethyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[2-methoxyethyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[2-methoxyethyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid is CCC(CC)N(CCOC)c1nccnc1C(=O)O.
What is the InChIKey of 3-[2-methoxyethyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid?
The InChIKey is JZYJUANCTRKJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-10(5-2)16(8-9-19-3)12-11(13(17)18)14-6-7-15-12/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,18).
What are the key properties of 3-[2-methoxyethyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid?
3-[2-methoxyethyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid has a molecular weight of 267.33 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 62702545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).