2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone

C18H18F3N3O3 — CID 158428533

IUPAC2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone
SMILESO=C(Cc1ccc([C@H]2CNCCO2)nc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C18H18F3N3O3/c19-18(20,21)11-27-17-4-2-13(9-24-17)15(25)7-12-1-3-14(23-8-12)16-10-22-5-6-26-16/h1-4,8-9,16,22H,5-7,10-11H2/t16-/m1/s1
InChIKeyHBJAYVBVRUHFQK-MRXNPFEDSA-N
MW381.35 g/mol
LogP2.50
Rot. Bonds6

About 2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone

2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone (PubChem CID 158428533) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is 2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone
PubChem CID158428533
Molecular FormulaC18H18F3N3O3
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC Name2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone
SMILESO=C(Cc1ccc([C@H]2CNCCO2)nc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C18H18F3N3O3/c19-18(20,21)11-27-17-4-2-13(9-24-17)15(25)7-12-1-3-14(23-8-12)16-10-22-5-6-26-16/h1-4,8-9,16,22H,5-7,10-11H2/t16-/m1/s1
InChIKeyHBJAYVBVRUHFQK-MRXNPFEDSA-N
XLogP2.50
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone with MolForge

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Related Compounds

1-(4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]ethanone
CID 159544218
2-(4-morpholin-2-ylphenyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanone
CID 58315539
N-[(4-morpholin-2-ylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 67240344
N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 58315627
N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 119388337
1-(4-ethoxyphenyl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 58315606
4-chloro-3-ethoxy-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-5-carboxamide;4-chloro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-carboxamide
CID 158235252
6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
CID 165153609
5-amino-3-imino-4-methyl-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]hept-4-en-2-one
CID 152948224
N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
CID 67239256
2-[4-[(3R)-piperidin-3-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 58315615
(2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
CID 46696653

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone?
The IUPAC name of 2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone (CID 158428533) is 2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone.
What is the SMILES notation for 2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone?
The canonical SMILES for 2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone is O=C(Cc1ccc([C@H]2CNCCO2)nc1)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of 2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone?
The InChIKey is HBJAYVBVRUHFQK-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c19-18(20,21)11-27-17-4-2-13(9-24-17)15(25)7-12-1-3-14(23-8-12)16-10-22-5-6-26-16/h1-4,8-9,16,22H,5-7,10-11H2/t16-/m1/s1.
What are the key properties of 2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone?
2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone has a molecular weight of 381.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone is sourced from PubChem (CID 158428533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).