3-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N-(3-fluorophenyl)propanamide

C17H23FN2O2 — CID 71915085

IUPAC3-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N-(3-fluorophenyl)propanamide
SMILESO=C(CCN1CCC2OCCCC2C1)Nc1cccc(F)c1
InChIInChI=1S/C17H23FN2O2/c18-14-4-1-5-15(11-14)19-17(21)7-9-20-8-6-16-13(12-20)3-2-10-22-16/h1,4-5,11,13,16H,2-3,6-10,12H2,(H,19,21)
InChIKeyLOPJHPSTWFTRLZ-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.66
Rot. Bonds4

About 3-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N-(3-fluorophenyl)propanamide

3-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N-(3-fluorophenyl)propanamide (PubChem CID 71915085) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 3-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N-(3-fluorophenyl)propanamide
PubChem CID71915085
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name3-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N-(3-fluorophenyl)propanamide
SMILESO=C(CCN1CCC2OCCCC2C1)Nc1cccc(F)c1
InChIInChI=1S/C17H23FN2O2/c18-14-4-1-5-15(11-14)19-17(21)7-9-20-8-6-16-13(12-20)3-2-10-22-16/h1,4-5,11,13,16H,2-3,6-10,12H2,(H,19,21)
InChIKeyLOPJHPSTWFTRLZ-UHFFFAOYSA-N
XLogP2.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(3-fluorophenyl)propanamide;hydrochloride
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3-[3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-1-yl]-N-(3-fluorophenyl)propanamide
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3-[bis[[(2R)-oxolan-2-yl]methyl]amino]-N-(3-fluorophenyl)propanamide
CID 51952632
N-(3-fluorophenyl)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62736577
tert-butyl N-[[1-[3-(3-fluoroanilino)-3-oxopropyl]piperidin-3-yl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N-(3-fluorophenyl)propanamide (CID 71915085) is 3-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N-(3-fluorophenyl)propanamide is O=C(CCN1CCC2OCCCC2C1)Nc1cccc(F)c1.
What is the InChIKey of 3-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N-(3-fluorophenyl)propanamide?
The InChIKey is LOPJHPSTWFTRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c18-14-4-1-5-15(11-14)19-17(21)7-9-20-8-6-16-13(12-20)3-2-10-22-16/h1,4-5,11,13,16H,2-3,6-10,12H2,(H,19,21).
What are the key properties of 3-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N-(3-fluorophenyl)propanamide?
3-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N-(3-fluorophenyl)propanamide has a molecular weight of 306.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 71915085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).