5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-phenyl-1,2,4-triazole-3-carboxamide

C22H19N5O2 — CID 166200539

IUPAC5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3nc(C)n(-c4ccccc4)n3)cn2)cc1
InChIInChI=1S/C22H19N5O2/c1-15-8-11-19(12-9-15)29-20-13-10-17(14-23-20)25-22(28)21-24-16(2)27(26-21)18-6-4-3-5-7-18/h3-14H,1-2H3,(H,25,28)
InChIKeyLBUHIGCNYNUCGJ-UHFFFAOYSA-N
MW385.43 g/mol
LogP4.32
Rot. Bonds5

About 5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-phenyl-1,2,4-triazole-3-carboxamide

5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 166200539) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID166200539
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3nc(C)n(-c4ccccc4)n3)cn2)cc1
InChIInChI=1S/C22H19N5O2/c1-15-8-11-19(12-9-15)29-20-13-10-17(14-23-20)25-22(28)21-24-16(2)27(26-21)18-6-4-3-5-7-18/h3-14H,1-2H3,(H,25,28)
InChIKeyLBUHIGCNYNUCGJ-UHFFFAOYSA-N
XLogP4.32
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-chlorophenoxy)-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide
CID 166377445
N-(3,4-dimethylphenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692529
1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 42691260
5-methyl-N-(4-phenoxyphenyl)-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide
CID 78836730
1-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-3-pyridin-3-ylpyrazole-5-carboxamide
CID 166377453
6-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 55787723
1-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-3-pyridin-4-ylpyrazole-5-carboxamide
CID 166377452
N-[6-(4-chlorophenoxy)-3-pyridinyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 60582189
4-methyl-N-(6-phenoxy-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 47789215
N-[6-(4-methylphenoxy)-3-pyridinyl]-4-phenyloxane-4-carboxamide
CID 55787731
3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide
CID 119852373
2-[[6-(4-tert-butylphenoxy)-3-pyridinyl]carbamoyl]benzoic acid
CID 2814281

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-phenyl-1,2,4-triazole-3-carboxamide (CID 166200539) is 5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-phenyl-1,2,4-triazole-3-carboxamide is Cc1ccc(Oc2ccc(NC(=O)c3nc(C)n(-c4ccccc4)n3)cn2)cc1.
What is the InChIKey of 5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is LBUHIGCNYNUCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-15-8-11-19(12-9-15)29-20-13-10-17(14-23-20)25-22(28)21-24-16(2)27(26-21)18-6-4-3-5-7-18/h3-14H,1-2H3,(H,25,28).
What are the key properties of 5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 166200539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).