6-bromo-3-[(6-methoxy-3-pyridinyl)methylamino]-1,3-dihydroindol-2-one

C15H14BrN3O2 — CID 43206349

IUPAC6-bromo-3-[(6-methoxy-3-pyridinyl)methylamino]-1,3-dihydroindol-2-one
SMILESCOc1ccc(CNC2C(=O)Nc3cc(Br)ccc32)cn1
InChIInChI=1S/C15H14BrN3O2/c1-21-13-5-2-9(7-17-13)8-18-14-11-4-3-10(16)6-12(11)19-15(14)20/h2-7,14,18H,8H2,1H3,(H,19,20)
InChIKeyZGSJVPRSJWZVFT-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.64
Rot. Bonds4

About 6-bromo-3-[(6-methoxy-3-pyridinyl)methylamino]-1,3-dihydroindol-2-one

6-bromo-3-[(6-methoxy-3-pyridinyl)methylamino]-1,3-dihydroindol-2-one (PubChem CID 43206349) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 6-bromo-3-[(6-methoxy-3-pyridinyl)methylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-bromo-3-[(6-methoxy-3-pyridinyl)methylamino]-1,3-dihydroindol-2-one
PubChem CID43206349
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name6-bromo-3-[(6-methoxy-3-pyridinyl)methylamino]-1,3-dihydroindol-2-one
SMILESCOc1ccc(CNC2C(=O)Nc3cc(Br)ccc32)cn1
InChIInChI=1S/C15H14BrN3O2/c1-21-13-5-2-9(7-17-13)8-18-14-11-4-3-10(16)6-12(11)19-15(14)20/h2-7,14,18H,8H2,1H3,(H,19,20)
InChIKeyZGSJVPRSJWZVFT-UHFFFAOYSA-N
XLogP2.64
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(6-methoxy-3-pyridinyl)methylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 6-bromo-3-[(6-methoxy-3-pyridinyl)methylamino]-1,3-dihydroindol-2-one (CID 43206349) is 6-bromo-3-[(6-methoxy-3-pyridinyl)methylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-bromo-3-[(6-methoxy-3-pyridinyl)methylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-bromo-3-[(6-methoxy-3-pyridinyl)methylamino]-1,3-dihydroindol-2-one is COc1ccc(CNC2C(=O)Nc3cc(Br)ccc32)cn1.
What is the InChIKey of 6-bromo-3-[(6-methoxy-3-pyridinyl)methylamino]-1,3-dihydroindol-2-one?
The InChIKey is ZGSJVPRSJWZVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-21-13-5-2-9(7-17-13)8-18-14-11-4-3-10(16)6-12(11)19-15(14)20/h2-7,14,18H,8H2,1H3,(H,19,20).
What are the key properties of 6-bromo-3-[(6-methoxy-3-pyridinyl)methylamino]-1,3-dihydroindol-2-one?
6-bromo-3-[(6-methoxy-3-pyridinyl)methylamino]-1,3-dihydroindol-2-one has a molecular weight of 348.20 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(6-methoxy-3-pyridinyl)methylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43206349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).