2-methyl-4-[(3-methylpyrazin-2-yl)amino]benzoic acid

C13H13N3O2 — CID 83065152

IUPAC2-methyl-4-[(3-methylpyrazin-2-yl)amino]benzoic acid
SMILESCc1cc(Nc2nccnc2C)ccc1C(=O)O
InChIInChI=1S/C13H13N3O2/c1-8-7-10(3-4-11(8)13(17)18)16-12-9(2)14-5-6-15-12/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyYOWANRLQLXIBHS-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.54
Rot. Bonds3

About 2-methyl-4-[(3-methylpyrazin-2-yl)amino]benzoic acid

2-methyl-4-[(3-methylpyrazin-2-yl)amino]benzoic acid (PubChem CID 83065152) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-methyl-4-[(3-methylpyrazin-2-yl)amino]benzoic acid.

Molecular Properties

Compound Name2-methyl-4-[(3-methylpyrazin-2-yl)amino]benzoic acid
PubChem CID83065152
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-methyl-4-[(3-methylpyrazin-2-yl)amino]benzoic acid
SMILESCc1cc(Nc2nccnc2C)ccc1C(=O)O
InChIInChI=1S/C13H13N3O2/c1-8-7-10(3-4-11(8)13(17)18)16-12-9(2)14-5-6-15-12/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyYOWANRLQLXIBHS-UHFFFAOYSA-N
XLogP2.54
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(pyrazolo[1,5-a]pyrazin-4-ylamino)benzoic acid
CID 104729459
2-methyl-4-[(1-methylimidazol-2-yl)amino]benzoic acid
CID 62131138
5-[(3-carbamoylpyrazin-2-yl)amino]-2-methylbenzoic acid
CID 63653354
2-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid
CID 62812366
4-[(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylbenzoic acid
CID 66284982
2-methyl-4-[(3-methyl-5-nitro-2-pyridinyl)amino]benzoic acid
CID 62476845
4-(4-bromo-3,5-dimethylanilino)-2-methylbenzoic acid
CID 107575463
2-methyl-5-(1,3-thiazol-2-ylamino)benzoic acid
CID 63654743
4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylbenzoic acid
CID 66326762
2-methyl-4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
CID 63617886
4-(3,4-difluoroanilino)-2-methylbenzoic acid
CID 113399992
5-(4-carbamoyl-3-methylanilino)-2-methylbenzoic acid
CID 81269584

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3-methylpyrazin-2-yl)amino]benzoic acid?
The IUPAC name of 2-methyl-4-[(3-methylpyrazin-2-yl)amino]benzoic acid (CID 83065152) is 2-methyl-4-[(3-methylpyrazin-2-yl)amino]benzoic acid.
What is the SMILES notation for 2-methyl-4-[(3-methylpyrazin-2-yl)amino]benzoic acid?
The canonical SMILES for 2-methyl-4-[(3-methylpyrazin-2-yl)amino]benzoic acid is Cc1cc(Nc2nccnc2C)ccc1C(=O)O.
What is the InChIKey of 2-methyl-4-[(3-methylpyrazin-2-yl)amino]benzoic acid?
The InChIKey is YOWANRLQLXIBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8-7-10(3-4-11(8)13(17)18)16-12-9(2)14-5-6-15-12/h3-7H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-methyl-4-[(3-methylpyrazin-2-yl)amino]benzoic acid?
2-methyl-4-[(3-methylpyrazin-2-yl)amino]benzoic acid has a molecular weight of 243.27 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3-methylpyrazin-2-yl)amino]benzoic acid is sourced from PubChem (CID 83065152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).