4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide

C22H16F3N5O3 — CID 59135374

IUPAC4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(=O)Nc2n[nH]c(-c3ccc(Oc4cccnc4)cc3)n2)cc1C(F)(F)F
InChIInChI=1S/C22H16F3N5O3/c1-32-18-9-6-14(11-17(18)22(23,24)25)20(31)28-21-27-19(29-30-21)13-4-7-15(8-5-13)33-16-3-2-10-26-12-16/h2-12H,1H3,(H2,27,28,29,30,31)
InChIKeyRRALFHLGATVRBK-UHFFFAOYSA-N
MW455.40 g/mol
LogP4.94
Rot. Bonds6

About 4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide

4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide (PubChem CID 59135374) has the molecular formula C22H16F3N5O3 and a molecular weight of 455.40 g/mol. Its IUPAC name is 4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide
PubChem CID59135374
Molecular FormulaC22H16F3N5O3
Molecular Weight455.40 g/mol
Exact Mass455.12
IUPAC Name4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(=O)Nc2n[nH]c(-c3ccc(Oc4cccnc4)cc3)n2)cc1C(F)(F)F
InChIInChI=1S/C22H16F3N5O3/c1-32-18-9-6-14(11-17(18)22(23,24)25)20(31)28-21-27-19(29-30-21)13-4-7-15(8-5-13)33-16-3-2-10-26-12-16/h2-12H,1H3,(H2,27,28,29,30,31)
InChIKeyRRALFHLGATVRBK-UHFFFAOYSA-N
XLogP4.94
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.40
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

[5-amino-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](4-methoxyphenyl)methanone
CID 971729
4-methoxy-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 1512090
(5-((4-fluorobenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(2-methoxyphenyl)methanone
CID 4331730
N-[(4-methylphenyl)methyl]-3-[1-[[2-(1,2,4-triazol-4-ylamino)-3-pyridinyl]oxy]ethyl]benzamide
CID 141482494
N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-pyridin-3-yloxybenzamide
CID 69936765
N-[5-[2-(3,5-dimethoxyphenoxy)-3-pyridinyl]-1H-1,2,4-triazol-3-yl]-4-methoxybenzamide
CID 44405631
(5-Amino-3-pyridin-4-yl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone
CID 155805667
N-[[3-(3-methoxy-2-pyridinyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
CID 156565639
1-Benzoyl-N-[(4-methoxyphenyl)methyl]-3-(pyridin-3-YL)-1H-1,2,4-triazol-5-amine
CID 5223330
4-(5-{[1-(4-Methoxybenzoyl)piperidin-4-YL]methyl}-4H-1,2,4-triazol-3-YL)pyridine
CID 124073309
(4-fluorophenyl)(5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)methanone
CID 2242700
4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridin-4-yloxybenzamide
CID 72042054

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide (CID 59135374) is 4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide is COc1ccc(C(=O)Nc2n[nH]c(-c3ccc(Oc4cccnc4)cc3)n2)cc1C(F)(F)F.
What is the InChIKey of 4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is RRALFHLGATVRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O3/c1-32-18-9-6-14(11-17(18)22(23,24)25)20(31)28-21-27-19(29-30-21)13-4-7-15(8-5-13)33-16-3-2-10-26-12-16/h2-12H,1H3,(H2,27,28,29,30,31).
What are the key properties of 4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide?
4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 455.40 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[5-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 59135374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).