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

C14H12F3N3O2 — CID 177168206

IUPAC1-[[6-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(Nc2ccc(C(F)(F)F)c(C3CC3)n2)C1=O
InChIInChI=1S/C14H12F3N3O2/c1-7-6-11(21)20(13(7)22)19-10-5-4-9(14(15,16)17)12(18-10)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,18,19)
InChIKeyLERVNDRDQDKGOL-UHFFFAOYSA-N
MW311.26 g/mol
LogP2.62
Rot. Bonds3

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

1-[[6-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione (PubChem CID 177168206) has the molecular formula C14H12F3N3O2 and a molecular weight of 311.26 g/mol. Its IUPAC name is 1-[[6-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[[6-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
PubChem CID177168206
Molecular FormulaC14H12F3N3O2
Molecular Weight311.26 g/mol
Exact Mass311.09
IUPAC Name1-[[6-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(Nc2ccc(C(F)(F)F)c(C3CC3)n2)C1=O
InChIInChI=1S/C14H12F3N3O2/c1-7-6-11(21)20(13(7)22)19-10-5-4-9(14(15,16)17)12(18-10)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,18,19)
InChIKeyLERVNDRDQDKGOL-UHFFFAOYSA-N
XLogP2.62
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 52.62
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]-3,4-dimethyl-1H-pyrrole-2,5-dione
CID 25104471
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
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-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-cyclopropylpyrrole-2,5-dione
CID 177167987
1-[[6-(3-Azabicyclo[3.1.0]hexan-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177168027
1-[[5,6-Bis(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177168039
1-[[6-Cyclopentyl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177168067
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

Frequently Asked Questions

What is the IUPAC name of 1-[[6-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-[[6-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione (CID 177168206) is 1-[[6-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-[[6-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-[[6-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(Nc2ccc(C(F)(F)F)c(C3CC3)n2)C1=O.
What is the InChIKey of 1-[[6-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione?
The InChIKey is LERVNDRDQDKGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2/c1-7-6-11(21)20(13(7)22)19-10-5-4-9(14(15,16)17)12(18-10)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,18,19).
What are the key properties of 1-[[6-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione?
1-[[6-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione has a molecular weight of 311.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 177168206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).