2-(5-methylpyrazine-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid

C15H13N3O3 — CID 103997269

IUPAC2-(5-methylpyrazine-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
SMILESCc1cnc(C(=O)N2Cc3ccc(C(=O)O)cc3C2)cn1
InChIInChI=1S/C15H13N3O3/c1-9-5-17-13(6-16-9)14(19)18-7-11-3-2-10(15(20)21)4-12(11)8-18/h2-6H,7-8H2,1H3,(H,20,21)
InChIKeyNESSAJBNYDPTAE-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.64
Rot. Bonds2

About 2-(5-methylpyrazine-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid

2-(5-methylpyrazine-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid (PubChem CID 103997269) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-(5-methylpyrazine-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-methylpyrazine-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
PubChem CID103997269
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2-(5-methylpyrazine-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
SMILESCc1cnc(C(=O)N2Cc3ccc(C(=O)O)cc3C2)cn1
InChIInChI=1S/C15H13N3O3/c1-9-5-17-13(6-16-9)14(19)18-7-11-3-2-10(15(20)21)4-12(11)8-18/h2-6H,7-8H2,1H3,(H,20,21)
InChIKeyNESSAJBNYDPTAE-UHFFFAOYSA-N
XLogP1.64
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-methylpyrazine-2-carbonyl)-1,3-dihydroisoindole-5-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 2-(5-methylpyrazine-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid?
The IUPAC name of 2-(5-methylpyrazine-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid (CID 103997269) is 2-(5-methylpyrazine-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid.
What is the SMILES notation for 2-(5-methylpyrazine-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid?
The canonical SMILES for 2-(5-methylpyrazine-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid is Cc1cnc(C(=O)N2Cc3ccc(C(=O)O)cc3C2)cn1.
What is the InChIKey of 2-(5-methylpyrazine-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid?
The InChIKey is NESSAJBNYDPTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-9-5-17-13(6-16-9)14(19)18-7-11-3-2-10(15(20)21)4-12(11)8-18/h2-6H,7-8H2,1H3,(H,20,21).
What are the key properties of 2-(5-methylpyrazine-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid?
2-(5-methylpyrazine-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrazine-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid is sourced from PubChem (CID 103997269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).