5-[(3-bromo-4-methyl-2-pyridinyl)amino]isoindole-1,3-dione

C14H10BrN3O2 — CID 106876452

IUPAC5-[(3-bromo-4-methyl-2-pyridinyl)amino]isoindole-1,3-dione
SMILESCc1ccnc(Nc2ccc3c(c2)C(=O)NC3=O)c1Br
InChIInChI=1S/C14H10BrN3O2/c1-7-4-5-16-12(11(7)15)17-8-2-3-9-10(6-8)14(20)18-13(9)19/h2-6H,1H3,(H,16,17)(H,18,19,20)
InChIKeyCDKPWLFBAQHNGP-UHFFFAOYSA-N
MW332.16 g/mol
LogP2.78
Rot. Bonds2

About 5-[(3-bromo-4-methyl-2-pyridinyl)amino]isoindole-1,3-dione

5-[(3-bromo-4-methyl-2-pyridinyl)amino]isoindole-1,3-dione (PubChem CID 106876452) has the molecular formula C14H10BrN3O2 and a molecular weight of 332.16 g/mol. Its IUPAC name is 5-[(3-bromo-4-methyl-2-pyridinyl)amino]isoindole-1,3-dione.

Molecular Properties

Compound Name5-[(3-bromo-4-methyl-2-pyridinyl)amino]isoindole-1,3-dione
PubChem CID106876452
Molecular FormulaC14H10BrN3O2
Molecular Weight332.16 g/mol
Exact Mass331.00
IUPAC Name5-[(3-bromo-4-methyl-2-pyridinyl)amino]isoindole-1,3-dione
SMILESCc1ccnc(Nc2ccc3c(c2)C(=O)NC3=O)c1Br
InChIInChI=1S/C14H10BrN3O2/c1-7-4-5-16-12(11(7)15)17-8-2-3-9-10(6-8)14(20)18-13(9)19/h2-6H,1H3,(H,16,17)(H,18,19,20)
InChIKeyCDKPWLFBAQHNGP-UHFFFAOYSA-N
XLogP2.78
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.16
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(3-bromo-4-methyl-2-pyridinyl)amino]isoindole-1,3-dione with MolForge

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Related Compounds

5-[(3-bromo-2-pyridinyl)amino]isoindole-1,3-dione
CID 61374663
5-[(2-chloro-5-methylpyrimidin-4-yl)amino]isoindole-1,3-dione
CID 79076256
3-bromo-4-methyl-N-naphthalen-2-ylpyridin-2-amine
CID 106876946
3-bromo-N-(3,5-dichlorophenyl)-4-methylpyridin-2-amine
CID 106876466
3-bromo-N-(3-iodophenyl)-4-methylpyridin-2-amine
CID 106876477
5-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]isoindole-1,3-dione
CID 63272049
3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-methylpyridin-2-amine
CID 106877436
4-[(3-bromo-4-methyl-2-pyridinyl)amino]benzonitrile
CID 106876502
5-[(2-aminopyrimidin-4-yl)amino]isoindole-1,3-dione
CID 80760234
5-[(2-chloro-5-fluoropyrimidin-4-yl)amino]isoindole-1,3-dione
CID 79081237
5-[(4-bromo-1,3-thiazol-2-yl)amino]isoindole-1,3-dione
CID 79400610
5-[[6-(ethylamino)pyrimidin-4-yl]amino]isoindole-1,3-dione
CID 80757984

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-4-methyl-2-pyridinyl)amino]isoindole-1,3-dione?
The IUPAC name of 5-[(3-bromo-4-methyl-2-pyridinyl)amino]isoindole-1,3-dione (CID 106876452) is 5-[(3-bromo-4-methyl-2-pyridinyl)amino]isoindole-1,3-dione.
What is the SMILES notation for 5-[(3-bromo-4-methyl-2-pyridinyl)amino]isoindole-1,3-dione?
The canonical SMILES for 5-[(3-bromo-4-methyl-2-pyridinyl)amino]isoindole-1,3-dione is Cc1ccnc(Nc2ccc3c(c2)C(=O)NC3=O)c1Br.
What is the InChIKey of 5-[(3-bromo-4-methyl-2-pyridinyl)amino]isoindole-1,3-dione?
The InChIKey is CDKPWLFBAQHNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O2/c1-7-4-5-16-12(11(7)15)17-8-2-3-9-10(6-8)14(20)18-13(9)19/h2-6H,1H3,(H,16,17)(H,18,19,20).
What are the key properties of 5-[(3-bromo-4-methyl-2-pyridinyl)amino]isoindole-1,3-dione?
5-[(3-bromo-4-methyl-2-pyridinyl)amino]isoindole-1,3-dione has a molecular weight of 332.16 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-4-methyl-2-pyridinyl)amino]isoindole-1,3-dione is sourced from PubChem (CID 106876452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).