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

C16H16F3N3O2 — CID 177168067

IUPAC1-[[6-cyclopentyl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(Nc2ccc(C(F)(F)F)c(C3CCCC3)n2)C1=O
InChIInChI=1S/C16H16F3N3O2/c1-9-8-13(23)22(15(9)24)21-12-7-6-11(16(17,18)19)14(20-12)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,20,21)
InChIKeyLMMGNOGCWMLETR-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.40
Rot. Bonds3

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

1-[[6-cyclopentyl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione (PubChem CID 177168067) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-[[6-cyclopentyl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[[6-cyclopentyl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
PubChem CID177168067
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name1-[[6-cyclopentyl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(Nc2ccc(C(F)(F)F)c(C3CCCC3)n2)C1=O
InChIInChI=1S/C16H16F3N3O2/c1-9-8-13(23)22(15(9)24)21-12-7-6-11(16(17,18)19)14(20-12)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,20,21)
InChIKeyLMMGNOGCWMLETR-UHFFFAOYSA-N
XLogP3.40
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methylpyrrole-2,5-dione
CID 58230264
3-Methyl-1-[[6-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
CID 177167959
1-[[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-propan-2-ylpyrrole-2,5-dione
CID 177167985
1-[[5,6-Bis(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177168039
1-[[4,6-Bis(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177168113
3-Methyl-1-[[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
CID 177168127
1-[[6-(Dimethylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177168147
1-[[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-ethylpyrrole-2,5-dione
CID 177168177
1-[[6-Cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177168206
N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]acetohydrazide
CID 139224363
N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]propanehydrazide
CID 139224364
4-methyl-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
CID 139224365

Frequently Asked Questions

What is the IUPAC name of 1-[[6-cyclopentyl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-[[6-cyclopentyl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione (CID 177168067) is 1-[[6-cyclopentyl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-[[6-cyclopentyl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-[[6-cyclopentyl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(Nc2ccc(C(F)(F)F)c(C3CCCC3)n2)C1=O.
What is the InChIKey of 1-[[6-cyclopentyl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione?
The InChIKey is LMMGNOGCWMLETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-9-8-13(23)22(15(9)24)21-12-7-6-11(16(17,18)19)14(20-12)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,20,21).
What are the key properties of 1-[[6-cyclopentyl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione?
1-[[6-cyclopentyl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione has a molecular weight of 339.32 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-cyclopentyl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 177168067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).