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

C12H17N3O2 — CID 71971916

IUPAC3-[(6-ethoxy-3-pyridinyl)amino]-1-methylpyrrolidin-2-one
SMILESCCOc1ccc(NC2CCN(C)C2=O)cn1
InChIInChI=1S/C12H17N3O2/c1-3-17-11-5-4-9(8-13-11)14-10-6-7-15(2)12(10)16/h4-5,8,10,14H,3,6-7H2,1-2H3
InChIKeyDXEZZOGCCUTLFB-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.12
Rot. Bonds4

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

3-[(6-ethoxy-3-pyridinyl)amino]-1-methylpyrrolidin-2-one (PubChem CID 71971916) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[(6-ethoxy-3-pyridinyl)amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(6-ethoxy-3-pyridinyl)amino]-1-methylpyrrolidin-2-one
PubChem CID71971916
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-[(6-ethoxy-3-pyridinyl)amino]-1-methylpyrrolidin-2-one
SMILESCCOc1ccc(NC2CCN(C)C2=O)cn1
InChIInChI=1S/C12H17N3O2/c1-3-17-11-5-4-9(8-13-11)14-10-6-7-15(2)12(10)16/h4-5,8,10,14H,3,6-7H2,1-2H3
InChIKeyDXEZZOGCCUTLFB-UHFFFAOYSA-N
XLogP1.12
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.12
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-methylpyrrolidin-2-one?
The IUPAC name of 3-[(6-ethoxy-3-pyridinyl)amino]-1-methylpyrrolidin-2-one (CID 71971916) is 3-[(6-ethoxy-3-pyridinyl)amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[(6-ethoxy-3-pyridinyl)amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[(6-ethoxy-3-pyridinyl)amino]-1-methylpyrrolidin-2-one is CCOc1ccc(NC2CCN(C)C2=O)cn1.
What is the InChIKey of 3-[(6-ethoxy-3-pyridinyl)amino]-1-methylpyrrolidin-2-one?
The InChIKey is DXEZZOGCCUTLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-17-11-5-4-9(8-13-11)14-10-6-7-15(2)12(10)16/h4-5,8,10,14H,3,6-7H2,1-2H3.
What are the key properties of 3-[(6-ethoxy-3-pyridinyl)amino]-1-methylpyrrolidin-2-one?
3-[(6-ethoxy-3-pyridinyl)amino]-1-methylpyrrolidin-2-one has a molecular weight of 235.29 g/mol, XLogP of 1.12, 4 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-methylpyrrolidin-2-one is sourced from PubChem (CID 71971916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).