(5-fluoro-2-pyridinyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone

C14H18FN3O — CID 104639225

IUPAC(5-fluoro-2-pyridinyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(F)cn1)N1CCCC1C1CCCN1
InChIInChI=1S/C14H18FN3O/c15-10-5-6-12(17-9-10)14(19)18-8-2-4-13(18)11-3-1-7-16-11/h5-6,9,11,13,16H,1-4,7-8H2
InChIKeyLACLTYOJLPFQOT-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.58
Rot. Bonds2

About (5-fluoro-2-pyridinyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone

(5-fluoro-2-pyridinyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone (PubChem CID 104639225) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is (5-fluoro-2-pyridinyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-pyridinyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
PubChem CID104639225
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name(5-fluoro-2-pyridinyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(F)cn1)N1CCCC1C1CCCN1
InChIInChI=1S/C14H18FN3O/c15-10-5-6-12(17-9-10)14(19)18-8-2-4-13(18)11-3-1-7-16-11/h5-6,9,11,13,16H,1-4,7-8H2
InChIKeyLACLTYOJLPFQOT-UHFFFAOYSA-N
XLogP1.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-pyridinyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-fluoro-2-pyridinyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone (CID 104639225) is (5-fluoro-2-pyridinyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-fluoro-2-pyridinyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-fluoro-2-pyridinyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone is O=C(c1ccc(F)cn1)N1CCCC1C1CCCN1.
What is the InChIKey of (5-fluoro-2-pyridinyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is LACLTYOJLPFQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c15-10-5-6-12(17-9-10)14(19)18-8-2-4-13(18)11-3-1-7-16-11/h5-6,9,11,13,16H,1-4,7-8H2.
What are the key properties of (5-fluoro-2-pyridinyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
(5-fluoro-2-pyridinyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 263.32 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-pyridinyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 104639225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).