1-cyclopropyl-3-[(6-ethoxy-3-pyridinyl)amino]pyrrolidin-2-one

C14H19N3O2 — CID 71971914

IUPAC1-cyclopropyl-3-[(6-ethoxy-3-pyridinyl)amino]pyrrolidin-2-one
SMILESCCOc1ccc(NC2CCN(C3CC3)C2=O)cn1
InChIInChI=1S/C14H19N3O2/c1-2-19-13-6-3-10(9-15-13)16-12-7-8-17(14(12)18)11-4-5-11/h3,6,9,11-12,16H,2,4-5,7-8H2,1H3
InChIKeyXZFDGEBVXNWKQL-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.66
Rot. Bonds5

About 1-cyclopropyl-3-[(6-ethoxy-3-pyridinyl)amino]pyrrolidin-2-one

1-cyclopropyl-3-[(6-ethoxy-3-pyridinyl)amino]pyrrolidin-2-one (PubChem CID 71971914) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(6-ethoxy-3-pyridinyl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[(6-ethoxy-3-pyridinyl)amino]pyrrolidin-2-one
PubChem CID71971914
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-cyclopropyl-3-[(6-ethoxy-3-pyridinyl)amino]pyrrolidin-2-one
SMILESCCOc1ccc(NC2CCN(C3CC3)C2=O)cn1
InChIInChI=1S/C14H19N3O2/c1-2-19-13-6-3-10(9-15-13)16-12-7-8-17(14(12)18)11-4-5-11/h3,6,9,11-12,16H,2,4-5,7-8H2,1H3
InChIKeyXZFDGEBVXNWKQL-UHFFFAOYSA-N
XLogP1.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(6-ethoxy-3-pyridinyl)amino]pyrrolidin-2-one?
The IUPAC name of 1-cyclopropyl-3-[(6-ethoxy-3-pyridinyl)amino]pyrrolidin-2-one (CID 71971914) is 1-cyclopropyl-3-[(6-ethoxy-3-pyridinyl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[(6-ethoxy-3-pyridinyl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[(6-ethoxy-3-pyridinyl)amino]pyrrolidin-2-one is CCOc1ccc(NC2CCN(C3CC3)C2=O)cn1.
What is the InChIKey of 1-cyclopropyl-3-[(6-ethoxy-3-pyridinyl)amino]pyrrolidin-2-one?
The InChIKey is XZFDGEBVXNWKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-19-13-6-3-10(9-15-13)16-12-7-8-17(14(12)18)11-4-5-11/h3,6,9,11-12,16H,2,4-5,7-8H2,1H3.
What are the key properties of 1-cyclopropyl-3-[(6-ethoxy-3-pyridinyl)amino]pyrrolidin-2-one?
1-cyclopropyl-3-[(6-ethoxy-3-pyridinyl)amino]pyrrolidin-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(6-ethoxy-3-pyridinyl)amino]pyrrolidin-2-one is sourced from PubChem (CID 71971914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).