1-(difluoromethyl)-5-(methylamino)-3-(1-methylazetidin-3-yl)oxypyridin-2-one

C11H15F2N3O2 — CID 156563167

IUPAC1-(difluoromethyl)-5-(methylamino)-3-(1-methylazetidin-3-yl)oxypyridin-2-one
SMILESCNc1cc(OC2CN(C)C2)c(=O)n(C(F)F)c1
InChIInChI=1S/C11H15F2N3O2/c1-14-7-3-9(18-8-5-15(2)6-8)10(17)16(4-7)11(12)13/h3-4,8,11,14H,5-6H2,1-2H3
InChIKeyPUYWZJSDPAKTLT-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.98
Rot. Bonds4

About 1-(difluoromethyl)-5-(methylamino)-3-(1-methylazetidin-3-yl)oxypyridin-2-one

1-(difluoromethyl)-5-(methylamino)-3-(1-methylazetidin-3-yl)oxypyridin-2-one (PubChem CID 156563167) has the molecular formula C11H15F2N3O2 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-(methylamino)-3-(1-methylazetidin-3-yl)oxypyridin-2-one.

Molecular Properties

Compound Name1-(difluoromethyl)-5-(methylamino)-3-(1-methylazetidin-3-yl)oxypyridin-2-one
PubChem CID156563167
Molecular FormulaC11H15F2N3O2
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC Name1-(difluoromethyl)-5-(methylamino)-3-(1-methylazetidin-3-yl)oxypyridin-2-one
SMILESCNc1cc(OC2CN(C)C2)c(=O)n(C(F)F)c1
InChIInChI=1S/C11H15F2N3O2/c1-14-7-3-9(18-8-5-15(2)6-8)10(17)16(4-7)11(12)13/h3-4,8,11,14H,5-6H2,1-2H3
InChIKeyPUYWZJSDPAKTLT-UHFFFAOYSA-N
XLogP0.98
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-1-(difluoromethyl)-3-ethoxypyridin-2-one
CID 156539475
Tert-butyl 3-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]azetidine-1-carboxylate
CID 156563171
1-(1-Fluoroethyl)-5-(methylamino)-3-propoxypyridin-2-one
CID 156563407
5-Amino-1-(difluoromethyl)-3-propoxypyridin-2-one
CID 156564063
5-Amino-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one
CID 174170101
1-(Difluoromethyl)-5-(methylamino)-3-propoxypyridin-2-one
CID 156802829
3-(Azetidin-3-yloxy)-1-(difluoromethyl)-5-(methylamino)pyridin-2-one
CID 156802913
5-amino-3-[[(2S)-1-methylazetidin-2-yl]methoxy]-1H-pyridin-2-one
CID 67659288

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-(methylamino)-3-(1-methylazetidin-3-yl)oxypyridin-2-one?
The IUPAC name of 1-(difluoromethyl)-5-(methylamino)-3-(1-methylazetidin-3-yl)oxypyridin-2-one (CID 156563167) is 1-(difluoromethyl)-5-(methylamino)-3-(1-methylazetidin-3-yl)oxypyridin-2-one.
What is the SMILES notation for 1-(difluoromethyl)-5-(methylamino)-3-(1-methylazetidin-3-yl)oxypyridin-2-one?
The canonical SMILES for 1-(difluoromethyl)-5-(methylamino)-3-(1-methylazetidin-3-yl)oxypyridin-2-one is CNc1cc(OC2CN(C)C2)c(=O)n(C(F)F)c1.
What is the InChIKey of 1-(difluoromethyl)-5-(methylamino)-3-(1-methylazetidin-3-yl)oxypyridin-2-one?
The InChIKey is PUYWZJSDPAKTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O2/c1-14-7-3-9(18-8-5-15(2)6-8)10(17)16(4-7)11(12)13/h3-4,8,11,14H,5-6H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-5-(methylamino)-3-(1-methylazetidin-3-yl)oxypyridin-2-one?
1-(difluoromethyl)-5-(methylamino)-3-(1-methylazetidin-3-yl)oxypyridin-2-one has a molecular weight of 259.26 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-(methylamino)-3-(1-methylazetidin-3-yl)oxypyridin-2-one is sourced from PubChem (CID 156563167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).