(2,2-dimethylmorpholin-4-yl)-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]methanone

C20H19FN2O2 — CID 66571295

IUPAC(2,2-dimethylmorpholin-4-yl)-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]methanone
SMILESCC1(C)CN(C(=O)c2ccc(C#Cc3cccc(F)c3)cn2)CCO1
InChIInChI=1S/C20H19FN2O2/c1-20(2)14-23(10-11-25-20)19(24)18-9-8-16(13-22-18)7-6-15-4-3-5-17(21)12-15/h3-5,8-9,12-13H,10-11,14H2,1-2H3
InChIKeyUBZYCCRHIRZFEK-UHFFFAOYSA-N
MW338.38 g/mol
LogP2.87
Rot. Bonds1

About (2,2-dimethylmorpholin-4-yl)-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]methanone

(2,2-dimethylmorpholin-4-yl)-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]methanone (PubChem CID 66571295) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is (2,2-dimethylmorpholin-4-yl)-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2,2-dimethylmorpholin-4-yl)-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]methanone
PubChem CID66571295
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name(2,2-dimethylmorpholin-4-yl)-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]methanone
SMILESCC1(C)CN(C(=O)c2ccc(C#Cc3cccc(F)c3)cn2)CCO1
InChIInChI=1S/C20H19FN2O2/c1-20(2)14-23(10-11-25-20)19(24)18-9-8-16(13-22-18)7-6-15-4-3-5-17(21)12-15/h3-5,8-9,12-13H,10-11,14H2,1-2H3
InChIKeyUBZYCCRHIRZFEK-UHFFFAOYSA-N
XLogP2.87
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 52.87
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

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
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-2-carboxamide
CID 2986895

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylmorpholin-4-yl)-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]methanone?
The IUPAC name of (2,2-dimethylmorpholin-4-yl)-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]methanone (CID 66571295) is (2,2-dimethylmorpholin-4-yl)-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]methanone.
What is the SMILES notation for (2,2-dimethylmorpholin-4-yl)-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]methanone?
The canonical SMILES for (2,2-dimethylmorpholin-4-yl)-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]methanone is CC1(C)CN(C(=O)c2ccc(C#Cc3cccc(F)c3)cn2)CCO1.
What is the InChIKey of (2,2-dimethylmorpholin-4-yl)-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]methanone?
The InChIKey is UBZYCCRHIRZFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-20(2)14-23(10-11-25-20)19(24)18-9-8-16(13-22-18)7-6-15-4-3-5-17(21)12-15/h3-5,8-9,12-13H,10-11,14H2,1-2H3.
What are the key properties of (2,2-dimethylmorpholin-4-yl)-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]methanone?
(2,2-dimethylmorpholin-4-yl)-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]methanone has a molecular weight of 338.38 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylmorpholin-4-yl)-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]methanone is sourced from PubChem (CID 66571295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).