1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methylpyrrole-2,5-dione

C15H13F5N4O2 — CID 177168064

IUPAC1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(N(C)c2ccc(C(F)(F)F)c(N3CC(F)(F)C3)n2)C1=O
InChIInChI=1S/C15H13F5N4O2/c1-8-5-11(25)24(13(8)26)22(2)10-4-3-9(15(18,19)20)12(21-10)23-6-14(16,17)7-23/h3-5H,6-7H2,1-2H3
InChIKeyIWAQLVULFYUGTN-UHFFFAOYSA-N
MW376.29 g/mol
LogP2.22
Rot. Bonds3

About 1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methylpyrrole-2,5-dione

1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methylpyrrole-2,5-dione (PubChem CID 177168064) has the molecular formula C15H13F5N4O2 and a molecular weight of 376.29 g/mol. Its IUPAC name is 1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methylpyrrole-2,5-dione
PubChem CID177168064
Molecular FormulaC15H13F5N4O2
Molecular Weight376.29 g/mol
Exact Mass376.10
IUPAC Name1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(N(C)c2ccc(C(F)(F)F)c(N3CC(F)(F)C3)n2)C1=O
InChIInChI=1S/C15H13F5N4O2/c1-8-5-11(25)24(13(8)26)22(2)10-4-3-9(15(18,19)20)12(21-10)23-6-14(16,17)7-23/h3-5H,6-7H2,1-2H3
InChIKeyIWAQLVULFYUGTN-UHFFFAOYSA-N
XLogP2.22
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-[methyl-[6-piperidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
CID 177168201
1-[6-(3,3-difluoropiperidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-1-methylhydrazine
CID 177168089
3-methyl-1-[[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
CID 177168127
1-methyl-1-[6-piperidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 177168012
N-cyclopropyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
CID 15698227
[6-(2-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 177168176
1-[[4,5-bis(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177167962
2-(3,3-difluoroazetidin-1-yl)-3-methoxypyridine
CID 175648008
3,3-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine
CID 86810876
(6S)-5-[4-(3,3-difluoroazetidin-1-yl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one
CID 137463002
3-[4-(3,3-difluoropyrrolidin-1-yl)-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 137473741
2-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875911

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methylpyrrole-2,5-dione (CID 177168064) is 1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(N(C)c2ccc(C(F)(F)F)c(N3CC(F)(F)C3)n2)C1=O.
What is the InChIKey of 1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methylpyrrole-2,5-dione?
The InChIKey is IWAQLVULFYUGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F5N4O2/c1-8-5-11(25)24(13(8)26)22(2)10-4-3-9(15(18,19)20)12(21-10)23-6-14(16,17)7-23/h3-5H,6-7H2,1-2H3.
What are the key properties of 1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methylpyrrole-2,5-dione?
1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methylpyrrole-2,5-dione has a molecular weight of 376.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 177168064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).