6-bromo-3-(2-pyridin-2-ylethylamino)-1,3-dihydroindol-2-one

C15H14BrN3O — CID 43193701

IUPAC6-bromo-3-(2-pyridin-2-ylethylamino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Br)ccc2C1NCCc1ccccn1
InChIInChI=1S/C15H14BrN3O/c16-10-4-5-12-13(9-10)19-15(20)14(12)18-8-6-11-3-1-2-7-17-11/h1-5,7,9,14,18H,6,8H2,(H,19,20)
InChIKeyUQZGOXDLTDNSDF-UHFFFAOYSA-N
MW332.20 g/mol
LogP2.67
Rot. Bonds4

About 6-bromo-3-(2-pyridin-2-ylethylamino)-1,3-dihydroindol-2-one

6-bromo-3-(2-pyridin-2-ylethylamino)-1,3-dihydroindol-2-one (PubChem CID 43193701) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 6-bromo-3-(2-pyridin-2-ylethylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-bromo-3-(2-pyridin-2-ylethylamino)-1,3-dihydroindol-2-one
PubChem CID43193701
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name6-bromo-3-(2-pyridin-2-ylethylamino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Br)ccc2C1NCCc1ccccn1
InChIInChI=1S/C15H14BrN3O/c16-10-4-5-12-13(9-10)19-15(20)14(12)18-8-6-11-3-1-2-7-17-11/h1-5,7,9,14,18H,6,8H2,(H,19,20)
InChIKeyUQZGOXDLTDNSDF-UHFFFAOYSA-N
XLogP2.67
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(2-pyridin-2-ylethylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-bromo-3-(2-pyridin-2-ylethylamino)-1,3-dihydroindol-2-one (CID 43193701) is 6-bromo-3-(2-pyridin-2-ylethylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-bromo-3-(2-pyridin-2-ylethylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-bromo-3-(2-pyridin-2-ylethylamino)-1,3-dihydroindol-2-one is O=C1Nc2cc(Br)ccc2C1NCCc1ccccn1.
What is the InChIKey of 6-bromo-3-(2-pyridin-2-ylethylamino)-1,3-dihydroindol-2-one?
The InChIKey is UQZGOXDLTDNSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c16-10-4-5-12-13(9-10)19-15(20)14(12)18-8-6-11-3-1-2-7-17-11/h1-5,7,9,14,18H,6,8H2,(H,19,20).
What are the key properties of 6-bromo-3-(2-pyridin-2-ylethylamino)-1,3-dihydroindol-2-one?
6-bromo-3-(2-pyridin-2-ylethylamino)-1,3-dihydroindol-2-one has a molecular weight of 332.20 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(2-pyridin-2-ylethylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43193701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).