2-methyl-N-[5-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide

C22H16F3N5O2 — CID 134472160

IUPAC2-methyl-N-[5-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1nc(-c2ccccn2)nn1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H16F3N5O2/c1-14-6-2-3-7-17(14)20(31)28-21-27-19(18-8-4-5-13-26-18)29-30(21)15-9-11-16(12-10-15)32-22(23,24)25/h2-13H,1H3,(H,27,28,29,31)
InChIKeySFCUBMXXVQYGDG-UHFFFAOYSA-N
MW439.40 g/mol
LogP4.79
Rot. Bonds5

About 2-methyl-N-[5-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide

2-methyl-N-[5-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide (PubChem CID 134472160) has the molecular formula C22H16F3N5O2 and a molecular weight of 439.40 g/mol. Its IUPAC name is 2-methyl-N-[5-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[5-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide
PubChem CID134472160
Molecular FormulaC22H16F3N5O2
Molecular Weight439.40 g/mol
Exact Mass439.13
IUPAC Name2-methyl-N-[5-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1nc(-c2ccccn2)nn1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H16F3N5O2/c1-14-6-2-3-7-17(14)20(31)28-21-27-19(18-8-4-5-13-26-18)29-30(21)15-9-11-16(12-10-15)32-22(23,24)25/h2-13H,1H3,(H,27,28,29,31)
InChIKeySFCUBMXXVQYGDG-UHFFFAOYSA-N
XLogP4.79
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.40
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-4-[6-[difluoro-(4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735440
N-Cyclopropyl-4-{6-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-8-[(3, 3,3-trifluoropropyl)amino]imidazo[1, 2-b]pyridazin-3-yl}-2-methylbenzamide
CID 71737355
N-[4-(chlorodifluoromethoxy)phenyl]-5-{3-[2-(pyridin-4-yl)ethyl]pyridin-4-yl}-1,3,4-oxadiazol-2-amine
CID 23644880
5-{3-[2-(pyridin-4-yl)ethyl]pyridin-4-yl}-N-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644881
N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 44454940
N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2512205
N'-({[4-(4-methoxyphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetyl)-2-methylbenzohydrazide
CID 1302884
N-benzyl-1-(2-methoxybenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 2983598
N-[(3-methoxyphenyl)methyl]-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzamide
CID 11567821
2-fluoro-N-(3-fluoro-4-(5-methylpyrrolo[1,2-f][1,2,4]triazin-4-yloxy)phenyl)benzamide
CID 11703607
3-(imidazo[1,2-b]pyridazin-6-yloxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 57505784
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CID 57708543

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of 2-methyl-N-[5-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide (CID 134472160) is 2-methyl-N-[5-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[5-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for 2-methyl-N-[5-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide is Cc1ccccc1C(=O)Nc1nc(-c2ccccn2)nn1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-[5-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide?
The InChIKey is SFCUBMXXVQYGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O2/c1-14-6-2-3-7-17(14)20(31)28-21-27-19(18-8-4-5-13-26-18)29-30(21)15-9-11-16(12-10-15)32-22(23,24)25/h2-13H,1H3,(H,27,28,29,31).
What are the key properties of 2-methyl-N-[5-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide?
2-methyl-N-[5-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide has a molecular weight of 439.40 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 134472160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).