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

C15H14ClN3O2 — CID 43706356

IUPAC5-chloro-3-[(2-ethoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one
SMILESCCOc1ncccc1NC1C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C15H14ClN3O2/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)
InChIKeyVWZHFUBFHZIMFV-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.24
Rot. Bonds4

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

5-chloro-3-[(2-ethoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one (PubChem CID 43706356) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 5-chloro-3-[(2-ethoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-[(2-ethoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one
PubChem CID43706356
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name5-chloro-3-[(2-ethoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one
SMILESCCOc1ncccc1NC1C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C15H14ClN3O2/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)
InChIKeyVWZHFUBFHZIMFV-UHFFFAOYSA-N
XLogP3.24
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(2-ethoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-[(2-ethoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one (CID 43706356) is 5-chloro-3-[(2-ethoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-[(2-ethoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-[(2-ethoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one is CCOc1ncccc1NC1C(=O)Nc2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-3-[(2-ethoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is VWZHFUBFHZIMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/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 5-chloro-3-[(2-ethoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one?
5-chloro-3-[(2-ethoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 303.75 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(2-ethoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43706356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).