4-methoxy-N-[6-phenyl-3-(2H-tetrazol-5-yl)-4-(trifluoromethyl)-2-pyridinyl]benzamide

C21H15F3N6O2 — CID 139220090

IUPAC4-methoxy-N-[6-phenyl-3-(2H-tetrazol-5-yl)-4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccccc3)cc(C(F)(F)F)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C21H15F3N6O2/c1-32-14-9-7-13(8-10-14)20(31)26-18-17(19-27-29-30-28-19)15(21(22,23)24)11-16(25-18)12-5-3-2-4-6-12/h2-11H,1H3,(H,25,26,31)(H,27,28,29,30)
InChIKeyRSELBYHXMCYBNU-UHFFFAOYSA-N
MW440.39 g/mol
LogP4.21
Rot. Bonds5

About 4-methoxy-N-[6-phenyl-3-(2H-tetrazol-5-yl)-4-(trifluoromethyl)-2-pyridinyl]benzamide

4-methoxy-N-[6-phenyl-3-(2H-tetrazol-5-yl)-4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 139220090) has the molecular formula C21H15F3N6O2 and a molecular weight of 440.39 g/mol. Its IUPAC name is 4-methoxy-N-[6-phenyl-3-(2H-tetrazol-5-yl)-4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[6-phenyl-3-(2H-tetrazol-5-yl)-4-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID139220090
Molecular FormulaC21H15F3N6O2
Molecular Weight440.39 g/mol
Exact Mass440.12
IUPAC Name4-methoxy-N-[6-phenyl-3-(2H-tetrazol-5-yl)-4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccccc3)cc(C(F)(F)F)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C21H15F3N6O2/c1-32-14-9-7-13(8-10-14)20(31)26-18-17(19-27-29-30-28-19)15(21(22,23)24)11-16(25-18)12-5-3-2-4-6-12/h2-11H,1H3,(H,25,26,31)(H,27,28,29,30)
InChIKeyRSELBYHXMCYBNU-UHFFFAOYSA-N
XLogP4.21
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.39
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-Methoxy-N-(3-phenyl-isoquinolin-1-yl)-benzamide
CID 10760609
3-[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxy-6-(4-methoxyphenyl)pyridine
CID 2021036
4-methoxy-N'-methyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]benzohydrazide
CID 2769282
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-4-methoxybenzamide
CID 1507263
2-{[(4-methoxyphenyl)carbonyl]amino}-N-(6-methylpyridin-2-yl)benzamide
CID 1980822
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 11647509
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-methoxybenzamide
CID 11667813
N-(1-(2-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl)-4-methoxybenzamide
CID 24981327
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 2352192
N-(3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)-4-methoxybenzamide
CID 7217772
N-(2,6-Diphenylpyrimidin-4-yl)-4-methoxybenzamide
CID 11164926
N-(4,6-dimethylpyridin-2-yl)-4-methoxybenzamide
CID 679016

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[6-phenyl-3-(2H-tetrazol-5-yl)-4-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 4-methoxy-N-[6-phenyl-3-(2H-tetrazol-5-yl)-4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 139220090) is 4-methoxy-N-[6-phenyl-3-(2H-tetrazol-5-yl)-4-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[6-phenyl-3-(2H-tetrazol-5-yl)-4-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 4-methoxy-N-[6-phenyl-3-(2H-tetrazol-5-yl)-4-(trifluoromethyl)-2-pyridinyl]benzamide is COc1ccc(C(=O)Nc2nc(-c3ccccc3)cc(C(F)(F)F)c2-c2nn[nH]n2)cc1.
What is the InChIKey of 4-methoxy-N-[6-phenyl-3-(2H-tetrazol-5-yl)-4-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is RSELBYHXMCYBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N6O2/c1-32-14-9-7-13(8-10-14)20(31)26-18-17(19-27-29-30-28-19)15(21(22,23)24)11-16(25-18)12-5-3-2-4-6-12/h2-11H,1H3,(H,25,26,31)(H,27,28,29,30).
What are the key properties of 4-methoxy-N-[6-phenyl-3-(2H-tetrazol-5-yl)-4-(trifluoromethyl)-2-pyridinyl]benzamide?
4-methoxy-N-[6-phenyl-3-(2H-tetrazol-5-yl)-4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 440.39 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[6-phenyl-3-(2H-tetrazol-5-yl)-4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 139220090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).