1-(3-fluoro-2-pyridinyl)-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidin-3-amine

C16H20FN3S — CID 84589088

IUPAC1-(3-fluoro-2-pyridinyl)-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidin-3-amine
SMILESCC(Cc1ccsc1)NC1CCN(c2ncccc2F)C1
InChIInChI=1S/C16H20FN3S/c1-12(9-13-5-8-21-11-13)19-14-4-7-20(10-14)16-15(17)3-2-6-18-16/h2-3,5-6,8,11-12,14,19H,4,7,9-10H2,1H3
InChIKeyYCZZTXWXIUSYNV-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.08
Rot. Bonds5

About 1-(3-fluoro-2-pyridinyl)-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidin-3-amine

1-(3-fluoro-2-pyridinyl)-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidin-3-amine (PubChem CID 84589088) has the molecular formula C16H20FN3S and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-(3-fluoro-2-pyridinyl)-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-fluoro-2-pyridinyl)-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidin-3-amine
PubChem CID84589088
Molecular FormulaC16H20FN3S
Molecular Weight305.42 g/mol
Exact Mass305.14
IUPAC Name1-(3-fluoro-2-pyridinyl)-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidin-3-amine
SMILESCC(Cc1ccsc1)NC1CCN(c2ncccc2F)C1
InChIInChI=1S/C16H20FN3S/c1-12(9-13-5-8-21-11-13)19-14-4-7-20(10-14)16-15(17)3-2-6-18-16/h2-3,5-6,8,11-12,14,19H,4,7,9-10H2,1H3
InChIKeyYCZZTXWXIUSYNV-UHFFFAOYSA-N
XLogP3.08
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-pyridinyl)-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(3-fluoro-2-pyridinyl)-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidin-3-amine (CID 84589088) is 1-(3-fluoro-2-pyridinyl)-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(3-fluoro-2-pyridinyl)-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(3-fluoro-2-pyridinyl)-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidin-3-amine is CC(Cc1ccsc1)NC1CCN(c2ncccc2F)C1.
What is the InChIKey of 1-(3-fluoro-2-pyridinyl)-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidin-3-amine?
The InChIKey is YCZZTXWXIUSYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3S/c1-12(9-13-5-8-21-11-13)19-14-4-7-20(10-14)16-15(17)3-2-6-18-16/h2-3,5-6,8,11-12,14,19H,4,7,9-10H2,1H3.
What are the key properties of 1-(3-fluoro-2-pyridinyl)-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidin-3-amine?
1-(3-fluoro-2-pyridinyl)-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidin-3-amine has a molecular weight of 305.42 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-pyridinyl)-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 84589088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).