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

C19H19ClF3N3O5S — CID 90826433

IUPAC6-chloro-1-methyl-4-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridin-2-one
SMILESCn1c(Cl)cc(CONC2=CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1=O
InChIInChI=1S/C19H19ClF3N3O5S/c1-25-17(20)10-13(11-18(25)27)12-30-24-14-6-8-26(9-7-14)32(28,29)16-4-2-15(3-5-16)31-19(21,22)23/h2-6,10-11,24H,7-9,12H2,1H3
InChIKeyLFDRJGGSCSAFJO-UHFFFAOYSA-N
MW493.89 g/mol
LogP2.94
Rot. Bonds7

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

6-chloro-1-methyl-4-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridin-2-one (PubChem CID 90826433) has the molecular formula C19H19ClF3N3O5S and a molecular weight of 493.89 g/mol. Its IUPAC name is 6-chloro-1-methyl-4-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-1-methyl-4-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridin-2-one
PubChem CID90826433
Molecular FormulaC19H19ClF3N3O5S
Molecular Weight493.89 g/mol
Exact Mass493.07
IUPAC Name6-chloro-1-methyl-4-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridin-2-one
SMILESCn1c(Cl)cc(CONC2=CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1=O
InChIInChI=1S/C19H19ClF3N3O5S/c1-25-17(20)10-13(11-18(25)27)12-30-24-14-6-8-26(9-7-14)32(28,29)16-4-2-15(3-5-16)31-19(21,22)23/h2-6,10-11,24H,7-9,12H2,1H3
InChIKeyLFDRJGGSCSAFJO-UHFFFAOYSA-N
XLogP2.94
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.89
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-methyl-6-oxo-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 51092868
6-chloro-4-[[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]amino]oxymethyl]-1H-pyridin-2-one
CID 57992752
6-Chloro-1-methyl-4-[[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]amino]oxymethyl]pyridin-2-one
CID 57992849
1-Methyl-4-[[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]amino]oxymethyl]pyridin-2-one
CID 57992988
5-[[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]amino]oxymethyl]-1H-pyridin-2-one
CID 57993060
4-[[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]amino]oxymethyl]-1H-pyridin-2-one
CID 57993091
1-Methyl-5-[[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]amino]oxymethyl]pyridin-2-one
CID 57993093
N-phenoxy-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]acetamide
CID 58065322
4-[Aminooxy-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]methyl]-6-chloro-1-methylpyridin-2-one
CID 69021536
6-[aminooxy-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]methyl]-1H-pyridin-2-one
CID 69022238
5-[aminooxy-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]methyl]-1H-pyridin-2-one
CID 69022628
4-[aminooxy-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]methyl]-6-chloro-1H-pyridin-2-one
CID 69023434

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-4-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridin-2-one?
The IUPAC name of 6-chloro-1-methyl-4-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridin-2-one (CID 90826433) is 6-chloro-1-methyl-4-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridin-2-one.
What is the SMILES notation for 6-chloro-1-methyl-4-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridin-2-one?
The canonical SMILES for 6-chloro-1-methyl-4-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridin-2-one is Cn1c(Cl)cc(CONC2=CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1=O.
What is the InChIKey of 6-chloro-1-methyl-4-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridin-2-one?
The InChIKey is LFDRJGGSCSAFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3O5S/c1-25-17(20)10-13(11-18(25)27)12-30-24-14-6-8-26(9-7-14)32(28,29)16-4-2-15(3-5-16)31-19(21,22)23/h2-6,10-11,24H,7-9,12H2,1H3.
What are the key properties of 6-chloro-1-methyl-4-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridin-2-one?
6-chloro-1-methyl-4-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridin-2-one has a molecular weight of 493.89 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-4-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridin-2-one is sourced from PubChem (CID 90826433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).