1-methyl-3-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridin-2-one

C19H20F3N3O5S — CID 90921266

IUPAC1-methyl-3-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridin-2-one
SMILESCn1cccc(CONC2=CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)c1=O
InChIInChI=1S/C19H20F3N3O5S/c1-24-10-2-3-14(18(24)26)13-29-23-15-8-11-25(12-9-15)31(27,28)17-6-4-16(5-7-17)30-19(20,21)22/h2-8,10,23H,9,11-13H2,1H3
InChIKeyXYWQNBIDAPTKPW-UHFFFAOYSA-N
MW459.45 g/mol
LogP2.28
Rot. Bonds7

About 1-methyl-3-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridin-2-one

1-methyl-3-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridin-2-one (PubChem CID 90921266) has the molecular formula C19H20F3N3O5S and a molecular weight of 459.45 g/mol. Its IUPAC name is 1-methyl-3-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridin-2-one
PubChem CID90921266
Molecular FormulaC19H20F3N3O5S
Molecular Weight459.45 g/mol
Exact Mass459.11
IUPAC Name1-methyl-3-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridin-2-one
SMILESCn1cccc(CONC2=CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)c1=O
InChIInChI=1S/C19H20F3N3O5S/c1-24-10-2-3-14(18(24)26)13-29-23-15-8-11-25(12-9-15)31(27,28)17-6-4-16(5-7-17)30-19(20,21)22/h2-8,10,23H,9,11-13H2,1H3
InChIKeyXYWQNBIDAPTKPW-UHFFFAOYSA-N
XLogP2.28
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridine-2-carbonitrile
CID 91163080
1-(4-fluorophenyl)-5-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridin-2-one
CID 91476706
1-piperidin-1-yl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyethanone
CID 123933997
N-(4-fluorophenyl)-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide
CID 90980833
2-[4-[[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]anilino]ethanol
CID 91380108
1-(4-butylphenyl)sulfonyl-N-(pyridin-2-ylmethoxy)-3,6-dihydro-2H-pyridin-4-amine
CID 90786156
1-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-4-ium
CID 2079401
N-(4-methoxyphenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide
CID 91295415
N-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 120714915
N-cyclopropyl-5-[[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]pyridin-2-amine
CID 91176266
N-[4-[[4-[(3-cyano-4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]acetamide
CID 90726764
4-[(2-methylimidazol-1-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine
CID 90494818

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridin-2-one?
The IUPAC name of 1-methyl-3-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridin-2-one (CID 90921266) is 1-methyl-3-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-3-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridin-2-one?
The canonical SMILES for 1-methyl-3-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridin-2-one is Cn1cccc(CONC2=CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)c1=O.
What is the InChIKey of 1-methyl-3-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridin-2-one?
The InChIKey is XYWQNBIDAPTKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O5S/c1-24-10-2-3-14(18(24)26)13-29-23-15-8-11-25(12-9-15)31(27,28)17-6-4-16(5-7-17)30-19(20,21)22/h2-8,10,23H,9,11-13H2,1H3.
What are the key properties of 1-methyl-3-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridin-2-one?
1-methyl-3-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridin-2-one has a molecular weight of 459.45 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridin-2-one is sourced from PubChem (CID 90921266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).