4,5-dioxo-N-(4-phenylcyclohexyl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrrolidine-3-carboxamide

C25H27F3N4O3 — CID 123584442

IUPAC4,5-dioxo-N-(4-phenylcyclohexyl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NC1CCC(c2ccccc2)CC1)C1CN(CCNc2ccc(C(F)(F)F)cn2)C(=O)C1=O
InChIInChI=1S/C25H27F3N4O3/c26-25(27,28)18-8-11-21(30-14-18)29-12-13-32-15-20(22(33)24(32)35)23(34)31-19-9-6-17(7-10-19)16-4-2-1-3-5-16/h1-5,8,11,14,17,19-20H,6-7,9-10,12-13,15H2,(H,29,30)(H,31,34)
InChIKeyNXJFNSBMWFIQEW-UHFFFAOYSA-N
MW488.51 g/mol
LogP3.38
Rot. Bonds7

About 4,5-dioxo-N-(4-phenylcyclohexyl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrrolidine-3-carboxamide

4,5-dioxo-N-(4-phenylcyclohexyl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrrolidine-3-carboxamide (PubChem CID 123584442) has the molecular formula C25H27F3N4O3 and a molecular weight of 488.51 g/mol. Its IUPAC name is 4,5-dioxo-N-(4-phenylcyclohexyl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4,5-dioxo-N-(4-phenylcyclohexyl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrrolidine-3-carboxamide
PubChem CID123584442
Molecular FormulaC25H27F3N4O3
Molecular Weight488.51 g/mol
Exact Mass488.20
IUPAC Name4,5-dioxo-N-(4-phenylcyclohexyl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NC1CCC(c2ccccc2)CC1)C1CN(CCNc2ccc(C(F)(F)F)cn2)C(=O)C1=O
InChIInChI=1S/C25H27F3N4O3/c26-25(27,28)18-8-11-21(30-14-18)29-12-13-32-15-20(22(33)24(32)35)23(34)31-19-9-6-17(7-10-19)16-4-2-1-3-5-16/h1-5,8,11,14,17,19-20H,6-7,9-10,12-13,15H2,(H,29,30)(H,31,34)
InChIKeyNXJFNSBMWFIQEW-UHFFFAOYSA-N
XLogP3.38
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.51
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 4,5-dioxo-N-(4-phenylcyclohexyl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrrolidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-cyclopropyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine;hydroiodide
CID 75418159
N-(4-phenylcyclohexyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55594757
N-[4-(3,4-dichlorophenyl)cyclohexyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide
CID 123652016
N-(3-cyclopropylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 115637573
2-[3-(trifluoromethyl)phenyl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopropane-1-carboxamide
CID 86935010
3-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentane-1-carboxylic acid
CID 66032182
3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1-(3,3,3-trifluoropropyl)pyridine-4-carboxamide
CID 90342681
N-(3-phenylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60631694
6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide
CID 71541976
N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 43600453
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 131949106
methyl 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 60631959

Frequently Asked Questions

What is the IUPAC name of 4,5-dioxo-N-(4-phenylcyclohexyl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 4,5-dioxo-N-(4-phenylcyclohexyl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrrolidine-3-carboxamide (CID 123584442) is 4,5-dioxo-N-(4-phenylcyclohexyl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 4,5-dioxo-N-(4-phenylcyclohexyl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 4,5-dioxo-N-(4-phenylcyclohexyl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrrolidine-3-carboxamide is O=C(NC1CCC(c2ccccc2)CC1)C1CN(CCNc2ccc(C(F)(F)F)cn2)C(=O)C1=O.
What is the InChIKey of 4,5-dioxo-N-(4-phenylcyclohexyl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrrolidine-3-carboxamide?
The InChIKey is NXJFNSBMWFIQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O3/c26-25(27,28)18-8-11-21(30-14-18)29-12-13-32-15-20(22(33)24(32)35)23(34)31-19-9-6-17(7-10-19)16-4-2-1-3-5-16/h1-5,8,11,14,17,19-20H,6-7,9-10,12-13,15H2,(H,29,30)(H,31,34).
What are the key properties of 4,5-dioxo-N-(4-phenylcyclohexyl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrrolidine-3-carboxamide?
4,5-dioxo-N-(4-phenylcyclohexyl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrrolidine-3-carboxamide has a molecular weight of 488.51 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dioxo-N-(4-phenylcyclohexyl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 123584442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).