(2S)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyridin-3-yloxypropanamide

C18H20FN3O2 — CID 124566511

IUPAC(2S)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyridin-3-yloxypropanamide
SMILESC[C@H](Oc1cccnc1)C(=O)Nc1c(F)cccc1N1CCCC1
InChIInChI=1S/C18H20FN3O2/c1-13(24-14-6-5-9-20-12-14)18(23)21-17-15(19)7-4-8-16(17)22-10-2-3-11-22/h4-9,12-13H,2-3,10-11H2,1H3,(H,21,23)/t13-/m0/s1
InChIKeyLGGNCLWPJFNMIV-ZDUSSCGKSA-N
MW329.38 g/mol
LogP3.23
Rot. Bonds5

About (2S)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyridin-3-yloxypropanamide

(2S)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyridin-3-yloxypropanamide (PubChem CID 124566511) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is (2S)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyridin-3-yloxypropanamide.

Molecular Properties

Compound Name(2S)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyridin-3-yloxypropanamide
PubChem CID124566511
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name(2S)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyridin-3-yloxypropanamide
SMILESC[C@H](Oc1cccnc1)C(=O)Nc1c(F)cccc1N1CCCC1
InChIInChI=1S/C18H20FN3O2/c1-13(24-14-6-5-9-20-12-14)18(23)21-17-15(19)7-4-8-16(17)22-10-2-3-11-22/h4-9,12-13H,2-3,10-11H2,1H3,(H,21,23)/t13-/m0/s1
InChIKeyLGGNCLWPJFNMIV-ZDUSSCGKSA-N
XLogP3.23
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyridin-3-yloxypropanamide?
The IUPAC name of (2S)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyridin-3-yloxypropanamide (CID 124566511) is (2S)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyridin-3-yloxypropanamide.
What is the SMILES notation for (2S)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyridin-3-yloxypropanamide?
The canonical SMILES for (2S)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyridin-3-yloxypropanamide is C[C@H](Oc1cccnc1)C(=O)Nc1c(F)cccc1N1CCCC1.
What is the InChIKey of (2S)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyridin-3-yloxypropanamide?
The InChIKey is LGGNCLWPJFNMIV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-13(24-14-6-5-9-20-12-14)18(23)21-17-15(19)7-4-8-16(17)22-10-2-3-11-22/h4-9,12-13H,2-3,10-11H2,1H3,(H,21,23)/t13-/m0/s1.
What are the key properties of (2S)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyridin-3-yloxypropanamide?
(2S)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyridin-3-yloxypropanamide has a molecular weight of 329.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyridin-3-yloxypropanamide is sourced from PubChem (CID 124566511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).