4-[(6-ethoxy-2-pyridinyl)amino]pyrrolidin-2-one

C11H15N3O2 — CID 106192160

IUPAC4-[(6-ethoxy-2-pyridinyl)amino]pyrrolidin-2-one
SMILESCCOc1cccc(NC2CNC(=O)C2)n1
InChIInChI=1S/C11H15N3O2/c1-2-16-11-5-3-4-9(14-11)13-8-6-10(15)12-7-8/h3-5,8H,2,6-7H2,1H3,(H,12,15)(H,13,14)
InChIKeyKZGIGYOXXXUACB-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.78
Rot. Bonds4

About 4-[(6-ethoxy-2-pyridinyl)amino]pyrrolidin-2-one

4-[(6-ethoxy-2-pyridinyl)amino]pyrrolidin-2-one (PubChem CID 106192160) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-[(6-ethoxy-2-pyridinyl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(6-ethoxy-2-pyridinyl)amino]pyrrolidin-2-one
PubChem CID106192160
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-[(6-ethoxy-2-pyridinyl)amino]pyrrolidin-2-one
SMILESCCOc1cccc(NC2CNC(=O)C2)n1
InChIInChI=1S/C11H15N3O2/c1-2-16-11-5-3-4-9(14-11)13-8-6-10(15)12-7-8/h3-5,8H,2,6-7H2,1H3,(H,12,15)(H,13,14)
InChIKeyKZGIGYOXXXUACB-UHFFFAOYSA-N
XLogP0.78
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-ethoxy-2-pyridinyl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(6-ethoxy-2-pyridinyl)amino]pyrrolidin-2-one (CID 106192160) is 4-[(6-ethoxy-2-pyridinyl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(6-ethoxy-2-pyridinyl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(6-ethoxy-2-pyridinyl)amino]pyrrolidin-2-one is CCOc1cccc(NC2CNC(=O)C2)n1.
What is the InChIKey of 4-[(6-ethoxy-2-pyridinyl)amino]pyrrolidin-2-one?
The InChIKey is KZGIGYOXXXUACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-16-11-5-3-4-9(14-11)13-8-6-10(15)12-7-8/h3-5,8H,2,6-7H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 4-[(6-ethoxy-2-pyridinyl)amino]pyrrolidin-2-one?
4-[(6-ethoxy-2-pyridinyl)amino]pyrrolidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-ethoxy-2-pyridinyl)amino]pyrrolidin-2-one is sourced from PubChem (CID 106192160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).