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

C22H15F3N4O2 — CID 126544271

IUPACN-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyridine-4-carboxamide
SMILESO=C(c1ccncc1)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1)c1ccccc1
InChIInChI=1S/C22H15F3N4O2/c23-22(24,25)21-28-27-19(31-21)16-8-6-15(7-9-16)14-29(18-4-2-1-3-5-18)20(30)17-10-12-26-13-11-17/h1-13H,14H2
InChIKeyMOPCDPUSHMGVIQ-UHFFFAOYSA-N
MW424.38 g/mol
LogP5.00
Rot. Bonds5

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

N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyridine-4-carboxamide (PubChem CID 126544271) has the molecular formula C22H15F3N4O2 and a molecular weight of 424.38 g/mol. Its IUPAC name is N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyridine-4-carboxamide
PubChem CID126544271
Molecular FormulaC22H15F3N4O2
Molecular Weight424.38 g/mol
Exact Mass424.11
IUPAC NameN-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyridine-4-carboxamide
SMILESO=C(c1ccncc1)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1)c1ccccc1
InChIInChI=1S/C22H15F3N4O2/c23-22(24,25)21-28-27-19(31-21)16-8-6-15(7-9-16)14-29(18-4-2-1-3-5-18)20(30)17-10-12-26-13-11-17/h1-13H,14H2
InChIKeyMOPCDPUSHMGVIQ-UHFFFAOYSA-N
XLogP5.00
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpyridine-4-carboxamide
CID 126544397
ethane;1-ethyl-3-phenyl-1-propyl-3-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea
CID 169107019
3-ethyl-1-phenyl-1-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethyl]urea
CID 169106966
N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]pyrrolidine-1-carboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrrolidine-1-carboxamide
CID 157312462
N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]cyclohexanecarboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]cyclohexanecarboxamide
CID 158350384
1-[[4-(2-aminoacetyl)phenyl]methyl]-3-cyclohexyl-1-phenylurea;3-cyclohexyl-1-phenyl-1-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea
CID 160758866
1-oxo-N-(4-phenylphenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,4-thiazinane-4-carboxamide
CID 167496684
N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpyridine-4-carboxamide
CID 126544270
4,4-difluoro-N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide;4,4-difluoro-N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidine-1-carboxamide
CID 159254833
4-(2-methylpropanoyl)-N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-carboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-carboxamide
CID 159266883
N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1-[3-(trifluoromethyl)oxiran-2-yl]piperidine-4-carboxamide
CID 145239480
N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylpyridine-4-carboxamide
CID 134568607

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyridine-4-carboxamide (CID 126544271) is N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyridine-4-carboxamide is O=C(c1ccncc1)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1)c1ccccc1.
What is the InChIKey of N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is MOPCDPUSHMGVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O2/c23-22(24,25)21-28-27-19(31-21)16-8-6-15(7-9-16)14-29(18-4-2-1-3-5-18)20(30)17-10-12-26-13-11-17/h1-13H,14H2.
What are the key properties of N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyridine-4-carboxamide?
N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 424.38 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 126544271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).