1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-2H-pyrrol-5-one

C14H13F5N4O — CID 177167991

IUPAC1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-2H-pyrrol-5-one
SMILESCN(c1ccc(C(F)(F)F)c(N2CC(F)(F)C2)n1)N1CC=CC1=O
InChIInChI=1S/C14H13F5N4O/c1-21(23-6-2-3-11(23)24)10-5-4-9(14(17,18)19)12(20-10)22-7-13(15,16)8-22/h2-5H,6-8H2,1H3
InChIKeySXVMWMYMDMFRKE-UHFFFAOYSA-N
MW348.28 g/mol
LogP2.31
Rot. Bonds3

About 1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-2H-pyrrol-5-one

1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-2H-pyrrol-5-one (PubChem CID 177167991) has the molecular formula C14H13F5N4O and a molecular weight of 348.28 g/mol. Its IUPAC name is 1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-2H-pyrrol-5-one
PubChem CID177167991
Molecular FormulaC14H13F5N4O
Molecular Weight348.28 g/mol
Exact Mass348.10
IUPAC Name1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-2H-pyrrol-5-one
SMILESCN(c1ccc(C(F)(F)F)c(N2CC(F)(F)C2)n1)N1CC=CC1=O
InChIInChI=1S/C14H13F5N4O/c1-21(23-6-2-3-11(23)24)10-5-4-9(14(17,18)19)12(20-10)22-7-13(15,16)8-22/h2-5H,6-8H2,1H3
InChIKeySXVMWMYMDMFRKE-UHFFFAOYSA-N
XLogP2.31
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-1-[[6-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
CID 177167959
1-[[6-(2-Azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177167965
1-[[6-(3,3-Difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methylpyrrole-2,5-dione
CID 177168064
N-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methyl-2,5-dioxopyrrol-1-yl)acetamide
CID 177168108
1-[[6-(3-Azabicyclo[3.1.1]heptan-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177168126
3-Methyl-1-[[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
CID 177168127
1-[[6-(3,3-Difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177168134
3-Methyl-1-[[6-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
CID 177168140
1-[[6-(Dimethylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177168147
1-[[6-(3,3-Difluoroazetidin-1-yl)-5-fluoro-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177168151
1-[[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methylpyrrole-2,5-dione
CID 177168163
1-[[6-(4,4-Difluoropiperidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methylpyrrole-2,5-dione
CID 177168173

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-2H-pyrrol-5-one?
The IUPAC name of 1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-2H-pyrrol-5-one (CID 177167991) is 1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-2H-pyrrol-5-one.
What is the SMILES notation for 1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-2H-pyrrol-5-one?
The canonical SMILES for 1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-2H-pyrrol-5-one is CN(c1ccc(C(F)(F)F)c(N2CC(F)(F)C2)n1)N1CC=CC1=O.
What is the InChIKey of 1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-2H-pyrrol-5-one?
The InChIKey is SXVMWMYMDMFRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F5N4O/c1-21(23-6-2-3-11(23)24)10-5-4-9(14(17,18)19)12(20-10)22-7-13(15,16)8-22/h2-5H,6-8H2,1H3.
What are the key properties of 1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-2H-pyrrol-5-one?
1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-2H-pyrrol-5-one has a molecular weight of 348.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-2H-pyrrol-5-one is sourced from PubChem (CID 177167991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).