5-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-methylisoindole-1,3-dione

C15H12BrN3O2 — CID 105367590

IUPAC5-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-methylisoindole-1,3-dione
SMILESCc1cnc(Nc2ccc3c(c2)C(=O)N(C)C3=O)c(Br)c1
InChIInChI=1S/C15H12BrN3O2/c1-8-5-12(16)13(17-7-8)18-9-3-4-10-11(6-9)15(21)19(2)14(10)20/h3-7H,1-2H3,(H,17,18)
InChIKeyCROGMCUFGYPWNB-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.12
Rot. Bonds2

About 5-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-methylisoindole-1,3-dione

5-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-methylisoindole-1,3-dione (PubChem CID 105367590) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is 5-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-methylisoindole-1,3-dione
PubChem CID105367590
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC Name5-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-methylisoindole-1,3-dione
SMILESCc1cnc(Nc2ccc3c(c2)C(=O)N(C)C3=O)c(Br)c1
InChIInChI=1S/C15H12BrN3O2/c1-8-5-12(16)13(17-7-8)18-9-3-4-10-11(6-9)15(21)19(2)14(10)20/h3-7H,1-2H3,(H,17,18)
InChIKeyCROGMCUFGYPWNB-UHFFFAOYSA-N
XLogP3.12
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 5-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-methylisoindole-1,3-dione with MolForge

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Related Compounds

5-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione
CID 114836563
5-[(5-bromo-3-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione
CID 103583037
5-[(2-amino-5-bromopyrimidin-4-yl)amino]-2-methylisoindole-1,3-dione
CID 80749350
3-bromo-N-(3,4-difluorophenyl)-5-methylpyridin-2-amine
CID 105367615
5-[(5-aminopyrimidin-4-yl)amino]-2-methylisoindole-1,3-dione
CID 79917877
5-[(2,5-dichloropyrimidin-4-yl)amino]-2-methylisoindole-1,3-dione
CID 79639322
N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]phenyl]acetamide
CID 105367745
3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyridin-2-amine
CID 84604430
3-bromo-N-(2,6-dibromophenyl)-5-methylpyridin-2-amine
CID 107603071
3-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyridin-2-amine
CID 105367742
2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]pyridine-3-carbonitrile
CID 24693520
3-bromo-N-(3,5-dichlorophenyl)-5-methylpyridin-2-amine
CID 84609267

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-methylisoindole-1,3-dione?
The IUPAC name of 5-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-methylisoindole-1,3-dione (CID 105367590) is 5-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-methylisoindole-1,3-dione is Cc1cnc(Nc2ccc3c(c2)C(=O)N(C)C3=O)c(Br)c1.
What is the InChIKey of 5-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-methylisoindole-1,3-dione?
The InChIKey is CROGMCUFGYPWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c1-8-5-12(16)13(17-7-8)18-9-3-4-10-11(6-9)15(21)19(2)14(10)20/h3-7H,1-2H3,(H,17,18).
What are the key properties of 5-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-methylisoindole-1,3-dione?
5-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-methylisoindole-1,3-dione has a molecular weight of 346.18 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 105367590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).