4-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-3-one

C12H14F3N3O2 — CID 131898899

IUPAC4-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-3-one
SMILESCN1CC(CNc2ccc(C(F)(F)F)cn2)OCC1=O
InChIInChI=1S/C12H14F3N3O2/c1-18-6-9(20-7-11(18)19)5-17-10-3-2-8(4-16-10)12(13,14)15/h2-4,9H,5-7H2,1H3,(H,16,17)
InChIKeyCNOIZCFQWCFGAP-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.37
Rot. Bonds3

About 4-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-3-one

4-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-3-one (PubChem CID 131898899) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 4-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-3-one.

Molecular Properties

Compound Name4-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-3-one
PubChem CID131898899
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name4-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-3-one
SMILESCN1CC(CNc2ccc(C(F)(F)F)cn2)OCC1=O
InChIInChI=1S/C12H14F3N3O2/c1-18-6-9(20-7-11(18)19)5-17-10-3-2-8(4-16-10)12(13,14)15/h2-4,9H,5-7H2,1H3,(H,16,17)
InChIKeyCNOIZCFQWCFGAP-UHFFFAOYSA-N
XLogP1.37
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 61208136
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 28819878
4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptane-3-carboxylic acid
CID 77309349
tert-butyl 2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidine-1-carboxylate;ethane
CID 155735409
N-(3-cyclopropylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 115637573
N-(2-methylbutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 62693316
4-fluoro-2-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
CID 110710175
1-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]methanesulfonamide
CID 110710197
tert-butyl (2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carboxylate
CID 170977694
N-[[(2S,3R)-1-methoxy-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 155378449
4-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
CID 110710163
N-[(1-methylimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 63295527

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-3-one?
The IUPAC name of 4-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-3-one (CID 131898899) is 4-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-3-one.
What is the SMILES notation for 4-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-3-one?
The canonical SMILES for 4-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-3-one is CN1CC(CNc2ccc(C(F)(F)F)cn2)OCC1=O.
What is the InChIKey of 4-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-3-one?
The InChIKey is CNOIZCFQWCFGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c1-18-6-9(20-7-11(18)19)5-17-10-3-2-8(4-16-10)12(13,14)15/h2-4,9H,5-7H2,1H3,(H,16,17).
What are the key properties of 4-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-3-one?
4-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-3-one has a molecular weight of 289.26 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-3-one is sourced from PubChem (CID 131898899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).