[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone

C14H18F3N3O2 — CID 164630249

IUPAC[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCN(C)C[C@H]1CN(C(=O)c2cccc(C(F)(F)F)n2)CCO1
InChIInChI=1S/C14H18F3N3O2/c1-19(2)8-10-9-20(6-7-22-10)13(21)11-4-3-5-12(18-11)14(15,16)17/h3-5,10H,6-9H2,1-2H3/t10-/m0/s1
InChIKeyXFYAVRBDLQVKGX-JTQLQIEISA-N
MW317.31 g/mol
LogP1.50
Rot. Bonds3

About [(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone

[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 164630249) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is [(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone
PubChem CID164630249
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC Name[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCN(C)C[C@H]1CN(C(=O)c2cccc(C(F)(F)F)n2)CCO1
InChIInChI=1S/C14H18F3N3O2/c1-19(2)8-10-9-20(6-7-22-10)13(21)11-4-3-5-12(18-11)14(15,16)17/h3-5,10H,6-9H2,1-2H3/t10-/m0/s1
InChIKeyXFYAVRBDLQVKGX-JTQLQIEISA-N
XLogP1.50
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,N'N'-Tetraethyldipiolinamide
CID 101206
N-[3-[[4-(2-methoxypropylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 72705784
N,N,N',N'-tetrakis(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 4155509
N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 977791
4-(6-Bromopyridine-2-carbonyl)morpholine
CID 59723638
[4-(2-Fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 31806507
(2-Ethylpiperidin-1-yl)-(6-methylpyridin-2-yl)methanone
CID 42943801
[5-(Aminomethyl)-4-(2,4-difluorophenyl)-6-methyl-2-pyridinyl]-morpholin-4-ylmethanone
CID 53321204
[5-(Aminomethyl)-4-(4-fluorophenyl)-6-methyl-2-pyridinyl]-morpholin-4-ylmethanone
CID 53323866
[4-(3-Methylbutyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 53517091
2-{[2-(Trifluoromethyl)-4-morpholinyl]carbonyl}quinoline
CID 56907741
(6-Methyl-2-pyridinyl)-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone
CID 72112635

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone?
The IUPAC name of [(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone (CID 164630249) is [(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for [(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for [(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone is CN(C)C[C@H]1CN(C(=O)c2cccc(C(F)(F)F)n2)CCO1.
What is the InChIKey of [(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone?
The InChIKey is XFYAVRBDLQVKGX-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18F3N3O2/c1-19(2)8-10-9-20(6-7-22-10)13(21)11-4-3-5-12(18-11)14(15,16)17/h3-5,10H,6-9H2,1-2H3/t10-/m0/s1.
What are the key properties of [(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone?
[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone has a molecular weight of 317.31 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 164630249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).