5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid

C21H27N3O2 — CID 118343100

IUPAC5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid
SMILESCCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1cnc(C(=O)O)cn1
InChIInChI=1S/C21H27N3O2/c1-6-24(18-13-22-17(12-23-18)19(25)26)14-7-8-15-16(11-14)21(4,5)10-9-20(15,2)3/h7-8,11-13H,6,9-10H2,1-5H3,(H,25,26)
InChIKeyKEALUXYJBDCBGL-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.68
Rot. Bonds4

About 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid

5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid (PubChem CID 118343100) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid
PubChem CID118343100
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid
SMILESCCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1cnc(C(=O)O)cn1
InChIInChI=1S/C21H27N3O2/c1-6-24(18-13-22-17(12-23-18)19(25)26)14-7-8-15-16(11-14)21(4,5)10-9-20(15,2)3/h7-8,11-13H,6,9-10H2,1-5H3,(H,25,26)
InChIKeyKEALUXYJBDCBGL-UHFFFAOYSA-N
XLogP4.68
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid (CID 118343100) is 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid is CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid?
The InChIKey is KEALUXYJBDCBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-6-24(18-13-22-17(12-23-18)19(25)26)14-7-8-15-16(11-14)21(4,5)10-9-20(15,2)3/h7-8,11-13H,6,9-10H2,1-5H3,(H,25,26).
What are the key properties of 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid?
5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid has a molecular weight of 353.47 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 118343100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).