6-[ethyl(furan-2-ylmethyl)amino]pyrazine-2-carboxylic acid

C12H13N3O3 — CID 66456851

IUPAC6-[ethyl(furan-2-ylmethyl)amino]pyrazine-2-carboxylic acid
SMILESCCN(Cc1ccco1)c1cncc(C(=O)O)n1
InChIInChI=1S/C12H13N3O3/c1-2-15(8-9-4-3-5-18-9)11-7-13-6-10(14-11)12(16)17/h3-7H,2,8H2,1H3,(H,16,17)
InChIKeyRPWWDEMIRGBSRK-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.79
Rot. Bonds5

About 6-[ethyl(furan-2-ylmethyl)amino]pyrazine-2-carboxylic acid

6-[ethyl(furan-2-ylmethyl)amino]pyrazine-2-carboxylic acid (PubChem CID 66456851) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 6-[ethyl(furan-2-ylmethyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[ethyl(furan-2-ylmethyl)amino]pyrazine-2-carboxylic acid
PubChem CID66456851
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name6-[ethyl(furan-2-ylmethyl)amino]pyrazine-2-carboxylic acid
SMILESCCN(Cc1ccco1)c1cncc(C(=O)O)n1
InChIInChI=1S/C12H13N3O3/c1-2-15(8-9-4-3-5-18-9)11-7-13-6-10(14-11)12(16)17/h3-7H,2,8H2,1H3,(H,16,17)
InChIKeyRPWWDEMIRGBSRK-UHFFFAOYSA-N
XLogP1.79
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carboxylic acid
CID 114090156
6-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyrazine-2-carboxylic acid
CID 66456063
3-chloro-N-ethyl-N-(furan-2-ylmethyl)-1,2,4-triazin-5-amine
CID 115001296
6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylic acid
CID 102994014
5-[ethyl(furan-2-ylmethyl)amino]furan-2-carboxylic acid
CID 62206025
3-[ethyl(furan-2-ylmethyl)amino]pyridazine-4-carboxylic acid
CID 80516869
5-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 61423513
6-[benzyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid
CID 66450502
3-amino-4-[ethyl(furan-2-ylmethyl)amino]benzoic acid
CID 61421271
6-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazine-2-carboxylic acid
CID 66457051
ethyl 2-[ethyl(furan-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate
CID 80568223
6-[ethyl(furan-2-ylmethyl)amino]-5-nitropyridine-3-carboxylic acid
CID 81442388

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(furan-2-ylmethyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[ethyl(furan-2-ylmethyl)amino]pyrazine-2-carboxylic acid (CID 66456851) is 6-[ethyl(furan-2-ylmethyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[ethyl(furan-2-ylmethyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[ethyl(furan-2-ylmethyl)amino]pyrazine-2-carboxylic acid is CCN(Cc1ccco1)c1cncc(C(=O)O)n1.
What is the InChIKey of 6-[ethyl(furan-2-ylmethyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is RPWWDEMIRGBSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-2-15(8-9-4-3-5-18-9)11-7-13-6-10(14-11)12(16)17/h3-7H,2,8H2,1H3,(H,16,17).
What are the key properties of 6-[ethyl(furan-2-ylmethyl)amino]pyrazine-2-carboxylic acid?
6-[ethyl(furan-2-ylmethyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(furan-2-ylmethyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 66456851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).