5-phenylmethoxy-N-[3-[3-(trifluoromethyl)phenyl]propyl]pyrazine-2-carboxamide

C22H20F3N3O2 — CID 155962309

IUPAC5-phenylmethoxy-N-[3-[3-(trifluoromethyl)phenyl]propyl]pyrazine-2-carboxamide
SMILESO=C(NCCCc1cccc(C(F)(F)F)c1)c1cnc(OCc2ccccc2)cn1
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)18-10-4-8-16(12-18)9-5-11-26-21(29)19-13-28-20(14-27-19)30-15-17-6-2-1-3-7-17/h1-4,6-8,10,12-14H,5,9,11,15H2,(H,26,29)
InChIKeyHTNFNXMVLYLMFG-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.44
Rot. Bonds8

About 5-phenylmethoxy-N-[3-[3-(trifluoromethyl)phenyl]propyl]pyrazine-2-carboxamide

5-phenylmethoxy-N-[3-[3-(trifluoromethyl)phenyl]propyl]pyrazine-2-carboxamide (PubChem CID 155962309) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is 5-phenylmethoxy-N-[3-[3-(trifluoromethyl)phenyl]propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-phenylmethoxy-N-[3-[3-(trifluoromethyl)phenyl]propyl]pyrazine-2-carboxamide
PubChem CID155962309
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC Name5-phenylmethoxy-N-[3-[3-(trifluoromethyl)phenyl]propyl]pyrazine-2-carboxamide
SMILESO=C(NCCCc1cccc(C(F)(F)F)c1)c1cnc(OCc2ccccc2)cn1
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)18-10-4-8-16(12-18)9-5-11-26-21(29)19-13-28-20(14-27-19)30-15-17-6-2-1-3-7-17/h1-4,6-8,10,12-14H,5,9,11,15H2,(H,26,29)
InChIKeyHTNFNXMVLYLMFG-UHFFFAOYSA-N
XLogP4.44
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-phenylmethoxy-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrazine-2-carboxamide
CID 155956166
N-[[4-(pentafluoro-λ6-sulfanyl)phenyl]methyl]-5-phenylmethoxypyrazine-2-carboxamide
CID 167756159
5-hydrazinyl-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 107377524
2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 141132168
5-phenylmethoxy-N-[1-[3-(trifluoromethylsulfanyl)phenyl]ethyl]pyrazine-2-carboxamide
CID 155962292
N-[1-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-5-phenylmethoxypyrazine-2-carboxamide
CID 155962297
1-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-3-[3-[3-(trifluoromethyl)phenyl]propyl]urea
CID 154837789
N-(4-fluoro-2-methylphenyl)-5-phenylmethoxypyrazine-2-carboxamide
CID 154863196
1-benzyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 91239685
N-(3-methoxypropyl)-2-[[(4-phenylmethoxyphenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 5079466
5-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109284508
2-(1,2,4-triazol-4-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 119060222

Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-N-[3-[3-(trifluoromethyl)phenyl]propyl]pyrazine-2-carboxamide?
The IUPAC name of 5-phenylmethoxy-N-[3-[3-(trifluoromethyl)phenyl]propyl]pyrazine-2-carboxamide (CID 155962309) is 5-phenylmethoxy-N-[3-[3-(trifluoromethyl)phenyl]propyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-phenylmethoxy-N-[3-[3-(trifluoromethyl)phenyl]propyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-phenylmethoxy-N-[3-[3-(trifluoromethyl)phenyl]propyl]pyrazine-2-carboxamide is O=C(NCCCc1cccc(C(F)(F)F)c1)c1cnc(OCc2ccccc2)cn1.
What is the InChIKey of 5-phenylmethoxy-N-[3-[3-(trifluoromethyl)phenyl]propyl]pyrazine-2-carboxamide?
The InChIKey is HTNFNXMVLYLMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c23-22(24,25)18-10-4-8-16(12-18)9-5-11-26-21(29)19-13-28-20(14-27-19)30-15-17-6-2-1-3-7-17/h1-4,6-8,10,12-14H,5,9,11,15H2,(H,26,29).
What are the key properties of 5-phenylmethoxy-N-[3-[3-(trifluoromethyl)phenyl]propyl]pyrazine-2-carboxamide?
5-phenylmethoxy-N-[3-[3-(trifluoromethyl)phenyl]propyl]pyrazine-2-carboxamide has a molecular weight of 415.42 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-N-[3-[3-(trifluoromethyl)phenyl]propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 155962309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).