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

C14H11F5N4O2 — CID 177168134

IUPAC1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(Nc2ccc(C(F)(F)F)c(N3CC(F)(F)C3)n2)C1=O
InChIInChI=1S/C14H11F5N4O2/c1-7-4-10(24)23(12(7)25)21-9-3-2-8(14(17,18)19)11(20-9)22-5-13(15,16)6-22/h2-4H,5-6H2,1H3,(H,20,21)
InChIKeyYMTDFCAOLWRLSM-UHFFFAOYSA-N
MW362.26 g/mol
LogP2.20
Rot. Bonds3

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

1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione (PubChem CID 177168134) has the molecular formula C14H11F5N4O2 and a molecular weight of 362.26 g/mol. Its IUPAC name is 1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
PubChem CID177168134
Molecular FormulaC14H11F5N4O2
Molecular Weight362.26 g/mol
Exact Mass362.08
IUPAC Name1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(Nc2ccc(C(F)(F)F)c(N3CC(F)(F)C3)n2)C1=O
InChIInChI=1S/C14H11F5N4O2/c1-7-4-10(24)23(12(7)25)21-9-3-2-8(14(17,18)19)11(20-9)22-5-13(15,16)6-22/h2-4H,5-6H2,1H3,(H,20,21)
InChIKeyYMTDFCAOLWRLSM-UHFFFAOYSA-N
XLogP2.20
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3,4-dimethyl-1H-pyrrole-2,5-dione
CID 25104471
1-[[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 58230264
5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyrazol-3-one
CID 66020846
5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one
CID 66021883
5-(trifluoromethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one
CID 176119603
5-methyl-2-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one
CID 176119614
3-Methyl-1-[[6-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
CID 177167959
1-[[4,5-Bis(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177167962
1-[[6-(2-Azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177167965
3-Methyl-1-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
CID 177167968
1-[[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-propan-2-ylpyrrole-2,5-dione
CID 177167985
1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-2H-pyrrol-5-one
CID 177167991

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione (CID 177168134) is 1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(Nc2ccc(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]amino]-3-methylpyrrole-2,5-dione?
The InChIKey is YMTDFCAOLWRLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F5N4O2/c1-7-4-10(24)23(12(7)25)21-9-3-2-8(14(17,18)19)11(20-9)22-5-13(15,16)6-22/h2-4H,5-6H2,1H3,(H,20,21).
What are the key properties of 1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione?
1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione has a molecular weight of 362.26 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 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]amino]-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 177168134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).