3-[(2-ethoxy-3-pyridinyl)amino]-5-fluoro-1,3-dihydroindol-2-one

C15H14FN3O2 — CID 43706349

IUPAC3-[(2-ethoxy-3-pyridinyl)amino]-5-fluoro-1,3-dihydroindol-2-one
SMILESCCOc1ncccc1NC1C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C15H14FN3O2/c1-2-21-15-12(4-3-7-17-15)18-13-10-8-9(16)5-6-11(10)19-14(13)20/h3-8,13,18H,2H2,1H3,(H,19,20)
InChIKeyMSGISSSGDMXEAX-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.72
Rot. Bonds4

About 3-[(2-ethoxy-3-pyridinyl)amino]-5-fluoro-1,3-dihydroindol-2-one

3-[(2-ethoxy-3-pyridinyl)amino]-5-fluoro-1,3-dihydroindol-2-one (PubChem CID 43706349) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 3-[(2-ethoxy-3-pyridinyl)amino]-5-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[(2-ethoxy-3-pyridinyl)amino]-5-fluoro-1,3-dihydroindol-2-one
PubChem CID43706349
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name3-[(2-ethoxy-3-pyridinyl)amino]-5-fluoro-1,3-dihydroindol-2-one
SMILESCCOc1ncccc1NC1C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C15H14FN3O2/c1-2-21-15-12(4-3-7-17-15)18-13-10-8-9(16)5-6-11(10)19-14(13)20/h3-8,13,18H,2H2,1H3,(H,19,20)
InChIKeyMSGISSSGDMXEAX-UHFFFAOYSA-N
XLogP2.72
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxy-3-pyridinyl)amino]-5-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 3-[(2-ethoxy-3-pyridinyl)amino]-5-fluoro-1,3-dihydroindol-2-one (CID 43706349) is 3-[(2-ethoxy-3-pyridinyl)amino]-5-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[(2-ethoxy-3-pyridinyl)amino]-5-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[(2-ethoxy-3-pyridinyl)amino]-5-fluoro-1,3-dihydroindol-2-one is CCOc1ncccc1NC1C(=O)Nc2ccc(F)cc21.
What is the InChIKey of 3-[(2-ethoxy-3-pyridinyl)amino]-5-fluoro-1,3-dihydroindol-2-one?
The InChIKey is MSGISSSGDMXEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-2-21-15-12(4-3-7-17-15)18-13-10-8-9(16)5-6-11(10)19-14(13)20/h3-8,13,18H,2H2,1H3,(H,19,20).
What are the key properties of 3-[(2-ethoxy-3-pyridinyl)amino]-5-fluoro-1,3-dihydroindol-2-one?
3-[(2-ethoxy-3-pyridinyl)amino]-5-fluoro-1,3-dihydroindol-2-one has a molecular weight of 287.29 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxy-3-pyridinyl)amino]-5-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 43706349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).