N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpyridine-4-carboxamide

C22H14F4N4O2 — CID 126544397

IUPACN-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpyridine-4-carboxamide
SMILESO=C(c1ccncc1)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1F)c1ccccc1
InChIInChI=1S/C22H14F4N4O2/c23-18-12-15(19-28-29-21(32-19)22(24,25)26)6-7-16(18)13-30(17-4-2-1-3-5-17)20(31)14-8-10-27-11-9-14/h1-12H,13H2
InChIKeyDBROWSQVRHOYDH-UHFFFAOYSA-N
MW442.37 g/mol
LogP5.14
Rot. Bonds5

About N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpyridine-4-carboxamide

N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpyridine-4-carboxamide (PubChem CID 126544397) has the molecular formula C22H14F4N4O2 and a molecular weight of 442.37 g/mol. Its IUPAC name is N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpyridine-4-carboxamide
PubChem CID126544397
Molecular FormulaC22H14F4N4O2
Molecular Weight442.37 g/mol
Exact Mass442.11
IUPAC NameN-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpyridine-4-carboxamide
SMILESO=C(c1ccncc1)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1F)c1ccccc1
InChIInChI=1S/C22H14F4N4O2/c23-18-12-15(19-28-29-21(32-19)22(24,25)26)6-7-16(18)13-30(17-4-2-1-3-5-17)20(31)14-8-10-27-11-9-14/h1-12H,13H2
InChIKeyDBROWSQVRHOYDH-UHFFFAOYSA-N
XLogP5.14
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.37
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyridine-4-carboxamide
CID 126544271
4-tert-butyl-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide
CID 140894608
1-ethyl-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylazetidine-3-carboxamide
CID 126544289
1-[N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]anilino]ethanol
CID 146660268
N-(4-fluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]methanesulfinamide
CID 145238702
N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-[methyl(dimethylidene)-λ6-sulfanyl]-N-phenylpiperazine-1-sulfonamide
CID 153258944
N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide;N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide
CID 158551733
N-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-carboxamide
CID 162598419
N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1-oxo-N-[3-(trifluoromethoxy)phenyl]-1,4-thiazinane-4-carboxamide
CID 170591379
N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(3-methoxyphenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 140894051
3-(2-chloroethyl)-1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-phenylurea
CID 140894641
7-methyl-N-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 147456940

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpyridine-4-carboxamide?
The IUPAC name of N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpyridine-4-carboxamide (CID 126544397) is N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpyridine-4-carboxamide.
What is the SMILES notation for N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpyridine-4-carboxamide?
The canonical SMILES for N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpyridine-4-carboxamide is O=C(c1ccncc1)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1F)c1ccccc1.
What is the InChIKey of N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpyridine-4-carboxamide?
The InChIKey is DBROWSQVRHOYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F4N4O2/c23-18-12-15(19-28-29-21(32-19)22(24,25)26)6-7-16(18)13-30(17-4-2-1-3-5-17)20(31)14-8-10-27-11-9-14/h1-12H,13H2.
What are the key properties of N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpyridine-4-carboxamide?
N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpyridine-4-carboxamide has a molecular weight of 442.37 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpyridine-4-carboxamide is sourced from PubChem (CID 126544397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).