(2-amino-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone

C18H18F3N3O2 — CID 25374537

IUPAC(2-amino-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
SMILESNc1cc(C(=O)N2CCO[C@@H](Cc3cccc(C(F)(F)F)c3)C2)ccn1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)14-3-1-2-12(8-14)9-15-11-24(6-7-26-15)17(25)13-4-5-23-16(22)10-13/h1-5,8,10,15H,6-7,9,11H2,(H2,22,23)/t15-/m0/s1
InChIKeyMGOKUDSLEGSSID-HNNXBMFYSA-N
MW365.36 g/mol
LogP2.77
Rot. Bonds3

About (2-amino-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone

(2-amino-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone (PubChem CID 25374537) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is (2-amino-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
PubChem CID25374537
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name(2-amino-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
SMILESNc1cc(C(=O)N2CCO[C@@H](Cc3cccc(C(F)(F)F)c3)C2)ccn1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)14-3-1-2-12(8-14)9-15-11-24(6-7-26-15)17(25)13-4-5-23-16(22)10-13/h1-5,8,10,15H,6-7,9,11H2,(H2,22,23)/t15-/m0/s1
InChIKeyMGOKUDSLEGSSID-HNNXBMFYSA-N
XLogP2.77
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-3-pyridinyl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 45217332
[2-(aminomethyl)morpholin-4-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 61338561
(1,5-dimethylpyrazol-3-yl)-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 42358801
(1,5-dimethylpyrazol-3-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 42358800
(2S)-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide
CID 26408379
(4-methyl-1H-pyrrol-2-yl)-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 95554052
[(2S)-2-(aminomethyl)-1,4-oxazepan-4-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 170896979
(5-cyclopropyl-1H-pyrazol-3-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 56918384
[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 45251144
1-(2-ethylmorpholin-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 91790975
[2-(hydroxymethyl)morpholin-4-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone
CID 71846639
2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanol
CID 56864108

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
The IUPAC name of (2-amino-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone (CID 25374537) is (2-amino-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone.
What is the SMILES notation for (2-amino-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
The canonical SMILES for (2-amino-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone is Nc1cc(C(=O)N2CCO[C@@H](Cc3cccc(C(F)(F)F)c3)C2)ccn1.
What is the InChIKey of (2-amino-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
The InChIKey is MGOKUDSLEGSSID-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c19-18(20,21)14-3-1-2-12(8-14)9-15-11-24(6-7-26-15)17(25)13-4-5-23-16(22)10-13/h1-5,8,10,15H,6-7,9,11H2,(H2,22,23)/t15-/m0/s1.
What are the key properties of (2-amino-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
(2-amino-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone has a molecular weight of 365.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 25374537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).