6-chloro-N-[1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-3-carboxamide

C20H16ClF3N4O3 — CID 122581643

IUPAC6-chloro-N-[1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-3-carboxamide
SMILESO=C(NC1(c2nc(-c3ccc(OC(F)(F)F)cc3)no2)CCCC1)c1ccc(Cl)nc1
InChIInChI=1S/C20H16ClF3N4O3/c21-15-8-5-13(11-25-15)17(29)27-19(9-1-2-10-19)18-26-16(28-31-18)12-3-6-14(7-4-12)30-20(22,23)24/h3-8,11H,1-2,9-10H2,(H,27,29)
InChIKeyPVTMSODBSLANRD-UHFFFAOYSA-N
MW452.82 g/mol
LogP4.88
Rot. Bonds5

About 6-chloro-N-[1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-3-carboxamide

6-chloro-N-[1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-3-carboxamide (PubChem CID 122581643) has the molecular formula C20H16ClF3N4O3 and a molecular weight of 452.82 g/mol. Its IUPAC name is 6-chloro-N-[1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-3-carboxamide
PubChem CID122581643
Molecular FormulaC20H16ClF3N4O3
Molecular Weight452.82 g/mol
Exact Mass452.09
IUPAC Name6-chloro-N-[1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-3-carboxamide
SMILESO=C(NC1(c2nc(-c3ccc(OC(F)(F)F)cc3)no2)CCCC1)c1ccc(Cl)nc1
InChIInChI=1S/C20H16ClF3N4O3/c21-15-8-5-13(11-25-15)17(29)27-19(9-1-2-10-19)18-26-16(28-31-18)12-3-6-14(7-4-12)30-20(22,23)24/h3-8,11H,1-2,9-10H2,(H,27,29)
InChIKeyPVTMSODBSLANRD-UHFFFAOYSA-N
XLogP4.88
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.82
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-N-[1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-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

4-chloro-N-[1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]cyclohepta-1,3,5-triene-1-carboxamide
CID 167046686
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-4-methylbenzamide
CID 53182024
N-[2-chloro-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-3-carboxamide
CID 140850357
3-cyano-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]benzamide
CID 53181949
3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carbohydrazide
CID 2744635
1,3-dimethyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 138055408
4-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 134205298
ethyl 2,2-dimethyl-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,3-dioxane-5-carboxylate
CID 122581746
1-(4-chlorophenyl)-4-hydroxy-3-(hydroxymethyl)-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]butan-1-one
CID 134343576
tert-butyl-[2-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamic acid
CID 134205414
3-chloro-4-fluoro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide
CID 53181987
methyl 6-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]pyridine-3-carboxylate
CID 60559915

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-3-carboxamide (CID 122581643) is 6-chloro-N-[1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-3-carboxamide is O=C(NC1(c2nc(-c3ccc(OC(F)(F)F)cc3)no2)CCCC1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-3-carboxamide?
The InChIKey is PVTMSODBSLANRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N4O3/c21-15-8-5-13(11-25-15)17(29)27-19(9-1-2-10-19)18-26-16(28-31-18)12-3-6-14(7-4-12)30-20(22,23)24/h3-8,11H,1-2,9-10H2,(H,27,29).
What are the key properties of 6-chloro-N-[1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-3-carboxamide?
6-chloro-N-[1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-3-carboxamide has a molecular weight of 452.82 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyridine-3-carboxamide is sourced from PubChem (CID 122581643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).