2-(4,4-difluoropiperidin-1-yl)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-4-pyridinyl]acetamide

C20H17F5N6O2 — CID 138680160

IUPAC2-(4,4-difluoropiperidin-1-yl)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-4-pyridinyl]acetamide
SMILESO=C(CN1CCC(F)(F)CC1)Nc1ccnc(-c2cc(-c3noc(C(F)(F)F)n3)ccn2)c1
InChIInChI=1S/C20H17F5N6O2/c21-19(22)3-7-31(8-4-19)11-16(32)28-13-2-6-27-15(10-13)14-9-12(1-5-26-14)17-29-18(33-30-17)20(23,24)25/h1-2,5-6,9-10H,3-4,7-8,11H2,(H,27,28,32)
InChIKeyDUKJUWDUBFHZEC-UHFFFAOYSA-N
MW468.39 g/mol
LogP3.88
Rot. Bonds5

About 2-(4,4-difluoropiperidin-1-yl)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-4-pyridinyl]acetamide

2-(4,4-difluoropiperidin-1-yl)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-4-pyridinyl]acetamide (PubChem CID 138680160) has the molecular formula C20H17F5N6O2 and a molecular weight of 468.39 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-4-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-4-pyridinyl]acetamide
PubChem CID138680160
Molecular FormulaC20H17F5N6O2
Molecular Weight468.39 g/mol
Exact Mass468.13
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-4-pyridinyl]acetamide
SMILESO=C(CN1CCC(F)(F)CC1)Nc1ccnc(-c2cc(-c3noc(C(F)(F)F)n3)ccn2)c1
InChIInChI=1S/C20H17F5N6O2/c21-19(22)3-7-31(8-4-19)11-16(32)28-13-2-6-27-15(10-13)14-9-12(1-5-26-14)17-29-18(33-30-17)20(23,24)25/h1-2,5-6,9-10H,3-4,7-8,11H2,(H,27,28,32)
InChIKeyDUKJUWDUBFHZEC-UHFFFAOYSA-N
XLogP3.88
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-phenyl-N-[6-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-3-pyridinyl]acetamide
CID 138680135
1-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropane-1-carboxamide
CID 134366998
1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-N-(3,3,3-trifluoropropyl)pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155249798
N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide
CID 129116524
N-(3-fluorophenyl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide
CID 42930392
1-butyl-N-ethyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide
CID 138680285
N-phenyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71550949
N,N-dimethyl-1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155249867
4-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pentanamide
CID 120561997
N-(3,4-dichlorophenyl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 166109556
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 19847727
[1-butyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol
CID 155249796

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-4-pyridinyl]acetamide?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-4-pyridinyl]acetamide (CID 138680160) is 2-(4,4-difluoropiperidin-1-yl)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-4-pyridinyl]acetamide.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-4-pyridinyl]acetamide?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-4-pyridinyl]acetamide is O=C(CN1CCC(F)(F)CC1)Nc1ccnc(-c2cc(-c3noc(C(F)(F)F)n3)ccn2)c1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-4-pyridinyl]acetamide?
The InChIKey is DUKJUWDUBFHZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F5N6O2/c21-19(22)3-7-31(8-4-19)11-16(32)28-13-2-6-27-15(10-13)14-9-12(1-5-26-14)17-29-18(33-30-17)20(23,24)25/h1-2,5-6,9-10H,3-4,7-8,11H2,(H,27,28,32).
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-4-pyridinyl]acetamide?
2-(4,4-difluoropiperidin-1-yl)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-4-pyridinyl]acetamide has a molecular weight of 468.39 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-4-pyridinyl]acetamide is sourced from PubChem (CID 138680160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).