[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-morpholin-4-ylmethanone

C18H15FN2O2 — CID 70789093

IUPAC[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(C#Cc2cccc(F)c2)cn1)N1CCOCC1
InChIInChI=1S/C18H15FN2O2/c19-16-3-1-2-14(12-16)4-5-15-6-7-17(20-13-15)18(22)21-8-10-23-11-9-21/h1-3,6-7,12-13H,8-11H2
InChIKeyGROAQJJOFLXUKA-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.09
Rot. Bonds1

About [5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-morpholin-4-ylmethanone

[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 70789093) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is [5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-morpholin-4-ylmethanone
PubChem CID70789093
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(C#Cc2cccc(F)c2)cn1)N1CCOCC1
InChIInChI=1S/C18H15FN2O2/c19-16-3-1-2-14(12-16)4-5-15-6-7-17(20-13-15)18(22)21-8-10-23-11-9-21/h1-3,6-7,12-13H,8-11H2
InChIKeyGROAQJJOFLXUKA-UHFFFAOYSA-N
XLogP2.09
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Lsn2463359
CID 72551298
Piberaline
CID 65975
VU0424465
CID 53384864
VU0361747
CID 53384841
5-((3-fluorophenyl)ethynyl)-N-(3-methyloxetan-3-yl)picolinamide
CID 53382545
(3-Azabicyclo[3.1.0]hexan-3-yl)(5-((3-fluorophenyl)ethynyl)pyridin-2-yl)methanone
CID 70789094
N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridin-3-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90442604
N-(1',2-dimethyl-5'-morpholino-6'-oxo-1',6'-dihydro-[3,3'-bipyridin]-5-yl)-2-(trifluoromethyl)isonicotinamide
CID 117609603
N-[6-methyl-5-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 117610044
N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-2-carboxamide dihydrochloride
CID 14783879
2-Fluoro-N-[(E)-1-(morpholine-4-carbonyl)-2-pyridin-3-yl-vinyl]-benzamide
CID 1835917
Pyridin-2-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2604307

Frequently Asked Questions

What is the IUPAC name of [5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-morpholin-4-ylmethanone (CID 70789093) is [5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-morpholin-4-ylmethanone is O=C(c1ccc(C#Cc2cccc(F)c2)cn1)N1CCOCC1.
What is the InChIKey of [5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is GROAQJJOFLXUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c19-16-3-1-2-14(12-16)4-5-15-6-7-17(20-13-15)18(22)21-8-10-23-11-9-21/h1-3,6-7,12-13H,8-11H2.
What are the key properties of [5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-morpholin-4-ylmethanone?
[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 310.33 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 70789093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).