3-nitro-2-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridine-4-carbonitrile

C18H15F3N4O2 — CID 133422237

IUPAC3-nitro-2-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NC2CCCC2c2ccccc2C(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C18H15F3N4O2/c19-18(20,21)14-6-2-1-4-12(14)13-5-3-7-15(13)24-17-16(25(26)27)11(10-22)8-9-23-17/h1-2,4,6,8-9,13,15H,3,5,7H2,(H,23,24)
InChIKeyDPTKMXSGBNZJPJ-UHFFFAOYSA-N
MW376.34 g/mol
LogP4.63
Rot. Bonds4

About 3-nitro-2-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridine-4-carbonitrile

3-nitro-2-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridine-4-carbonitrile (PubChem CID 133422237) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is 3-nitro-2-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-nitro-2-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridine-4-carbonitrile
PubChem CID133422237
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC Name3-nitro-2-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NC2CCCC2c2ccccc2C(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C18H15F3N4O2/c19-18(20,21)14-6-2-1-4-12(14)13-5-3-7-15(13)24-17-16(25(26)27)11(10-22)8-9-23-17/h1-2,4,6,8-9,13,15H,3,5,7H2,(H,23,24)
InChIKeyDPTKMXSGBNZJPJ-UHFFFAOYSA-N
XLogP4.63
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-nitro-2-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridine-4-carbonitrile?
The IUPAC name of 3-nitro-2-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridine-4-carbonitrile (CID 133422237) is 3-nitro-2-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-nitro-2-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-nitro-2-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridine-4-carbonitrile is N#Cc1ccnc(NC2CCCC2c2ccccc2C(F)(F)F)c1[N+](=O)[O-].
What is the InChIKey of 3-nitro-2-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridine-4-carbonitrile?
The InChIKey is DPTKMXSGBNZJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c19-18(20,21)14-6-2-1-4-12(14)13-5-3-7-15(13)24-17-16(25(26)27)11(10-22)8-9-23-17/h1-2,4,6,8-9,13,15H,3,5,7H2,(H,23,24).
What are the key properties of 3-nitro-2-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridine-4-carbonitrile?
3-nitro-2-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridine-4-carbonitrile has a molecular weight of 376.34 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 133422237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).