2-(3-ethoxycyclobutyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]acetamide

C17H24FN3O2 — CID 126776040

IUPAC2-(3-ethoxycyclobutyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]acetamide
SMILESCCOC1CC(CC(=O)NC2CCN(c3ncccc3F)C2)C1
InChIInChI=1S/C17H24FN3O2/c1-2-23-14-8-12(9-14)10-16(22)20-13-5-7-21(11-13)17-15(18)4-3-6-19-17/h3-4,6,12-14H,2,5,7-11H2,1H3,(H,20,22)
InChIKeyUIMOEILWAQUTCB-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.12
Rot. Bonds6

About 2-(3-ethoxycyclobutyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]acetamide

2-(3-ethoxycyclobutyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]acetamide (PubChem CID 126776040) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]acetamide
PubChem CID126776040
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name2-(3-ethoxycyclobutyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]acetamide
SMILESCCOC1CC(CC(=O)NC2CCN(c3ncccc3F)C2)C1
InChIInChI=1S/C17H24FN3O2/c1-2-23-14-8-12(9-14)10-16(22)20-13-5-7-21(11-13)17-15(18)4-3-6-19-17/h3-4,6,12-14H,2,5,7-11H2,1H3,(H,20,22)
InChIKeyUIMOEILWAQUTCB-UHFFFAOYSA-N
XLogP2.12
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(3-ethoxycyclobutyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]acetamide (CID 126776040) is 2-(3-ethoxycyclobutyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]acetamide is CCOC1CC(CC(=O)NC2CCN(c3ncccc3F)C2)C1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]acetamide?
The InChIKey is UIMOEILWAQUTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-2-23-14-8-12(9-14)10-16(22)20-13-5-7-21(11-13)17-15(18)4-3-6-19-17/h3-4,6,12-14H,2,5,7-11H2,1H3,(H,20,22).
What are the key properties of 2-(3-ethoxycyclobutyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]acetamide?
2-(3-ethoxycyclobutyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]acetamide has a molecular weight of 321.40 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 126776040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).