3-[(6-ethoxy-3-pyridinyl)amino]-1-propan-2-ylpyrrolidin-2-one

C14H21N3O2 — CID 71971915

IUPAC3-[(6-ethoxy-3-pyridinyl)amino]-1-propan-2-ylpyrrolidin-2-one
SMILESCCOc1ccc(NC2CCN(C(C)C)C2=O)cn1
InChIInChI=1S/C14H21N3O2/c1-4-19-13-6-5-11(9-15-13)16-12-7-8-17(10(2)3)14(12)18/h5-6,9-10,12,16H,4,7-8H2,1-3H3
InChIKeyOKYIASYIHJKJLC-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.90
Rot. Bonds5

About 3-[(6-ethoxy-3-pyridinyl)amino]-1-propan-2-ylpyrrolidin-2-one

3-[(6-ethoxy-3-pyridinyl)amino]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 71971915) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[(6-ethoxy-3-pyridinyl)amino]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(6-ethoxy-3-pyridinyl)amino]-1-propan-2-ylpyrrolidin-2-one
PubChem CID71971915
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[(6-ethoxy-3-pyridinyl)amino]-1-propan-2-ylpyrrolidin-2-one
SMILESCCOc1ccc(NC2CCN(C(C)C)C2=O)cn1
InChIInChI=1S/C14H21N3O2/c1-4-19-13-6-5-11(9-15-13)16-12-7-8-17(10(2)3)14(12)18/h5-6,9-10,12,16H,4,7-8H2,1-3H3
InChIKeyOKYIASYIHJKJLC-UHFFFAOYSA-N
XLogP1.90
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethoxy-3-pyridinyl)amino]-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 3-[(6-ethoxy-3-pyridinyl)amino]-1-propan-2-ylpyrrolidin-2-one (CID 71971915) is 3-[(6-ethoxy-3-pyridinyl)amino]-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 3-[(6-ethoxy-3-pyridinyl)amino]-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 3-[(6-ethoxy-3-pyridinyl)amino]-1-propan-2-ylpyrrolidin-2-one is CCOc1ccc(NC2CCN(C(C)C)C2=O)cn1.
What is the InChIKey of 3-[(6-ethoxy-3-pyridinyl)amino]-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is OKYIASYIHJKJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-19-13-6-5-11(9-15-13)16-12-7-8-17(10(2)3)14(12)18/h5-6,9-10,12,16H,4,7-8H2,1-3H3.
What are the key properties of 3-[(6-ethoxy-3-pyridinyl)amino]-1-propan-2-ylpyrrolidin-2-one?
3-[(6-ethoxy-3-pyridinyl)amino]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 263.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethoxy-3-pyridinyl)amino]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 71971915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).