5-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one

C15H14BrN3O — CID 115148256

IUPAC5-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one
SMILESCc1nc(NCc2ccc3c(c2)CC(=O)N3)ccc1Br
InChIInChI=1S/C15H14BrN3O/c1-9-12(16)3-5-14(18-9)17-8-10-2-4-13-11(6-10)7-15(20)19-13/h2-6H,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyHELNGUAXPAVSPX-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.26
Rot. Bonds3

About 5-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one

5-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one (PubChem CID 115148256) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 5-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one
PubChem CID115148256
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name5-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one
SMILESCc1nc(NCc2ccc3c(c2)CC(=O)N3)ccc1Br
InChIInChI=1S/C15H14BrN3O/c1-9-12(16)3-5-14(18-9)17-8-10-2-4-13-11(6-10)7-15(20)19-13/h2-6H,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyHELNGUAXPAVSPX-UHFFFAOYSA-N
XLogP3.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(5-amino-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one
CID 115147674
5-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 115148277
5-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one
CID 115148571
5-bromo-6-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 58338424
2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde
CID 116927299
5-bromo-6-methyl-N-[(4-nitrophenyl)methyl]pyridin-2-amine
CID 103934170
2-(4-methylphenyl)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]acetamide
CID 110781350
2-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]pyridine-3-carboxylic acid
CID 166364586
5-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydroindol-2-one
CID 21066407
5-[(2-hydroxyethylamino)methyl]-1,3-dihydroindol-2-one
CID 82470284
2,2-dimethyl-3-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]propanoic acid
CID 115136555
5-[[(4-amino-2,2-dimethylbutyl)amino]methyl]-1,3-dihydroindol-2-one
CID 115204416

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one (CID 115148256) is 5-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one is Cc1nc(NCc2ccc3c(c2)CC(=O)N3)ccc1Br.
What is the InChIKey of 5-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one?
The InChIKey is HELNGUAXPAVSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-9-12(16)3-5-14(18-9)17-8-10-2-4-13-11(6-10)7-15(20)19-13/h2-6H,7-8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one?
5-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one has a molecular weight of 332.20 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 115148256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).