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

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Related Compounds

2-(1,2-oxazole-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997286
2-(2,3-dimethylquinoxaline-6-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 146095795
2-(4-methylthiadiazole-5-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997156
2-(2-methylpyrazole-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997138
2-(3-methylfuran-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997302
2-(3-bromopyridine-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 107517250
2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 146095796
2-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 154844250
2-(3-methoxy-3-methylbutanoyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103019250
[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-phenylmethanone
CID 38175380
(3,5-dimethylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 42910146
[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 121153523

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).