5-benzyl-N-[4-[6-(2-methoxyethoxy)-5-methyl-2-pyridinyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide

C24H24N6O3 — CID 155017802

IUPAC5-benzyl-N-[4-[6-(2-methoxyethoxy)-5-methyl-2-pyridinyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide
SMILESCOCCOc1nc(-c2ccnc(NC(=O)c3n[nH]c(Cc4ccccc4)n3)c2)ccc1C
InChIInChI=1S/C24H24N6O3/c1-16-8-9-19(26-24(16)33-13-12-32-2)18-10-11-25-20(15-18)28-23(31)22-27-21(29-30-22)14-17-6-4-3-5-7-17/h3-11,15H,12-14H2,1-2H3,(H,25,28,31)(H,27,29,30)
InChIKeyQCUNVGULKCCWRV-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.44
Rot. Bonds9

About 5-benzyl-N-[4-[6-(2-methoxyethoxy)-5-methyl-2-pyridinyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide

5-benzyl-N-[4-[6-(2-methoxyethoxy)-5-methyl-2-pyridinyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide (PubChem CID 155017802) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 5-benzyl-N-[4-[6-(2-methoxyethoxy)-5-methyl-2-pyridinyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-[4-[6-(2-methoxyethoxy)-5-methyl-2-pyridinyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide
PubChem CID155017802
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name5-benzyl-N-[4-[6-(2-methoxyethoxy)-5-methyl-2-pyridinyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide
SMILESCOCCOc1nc(-c2ccnc(NC(=O)c3n[nH]c(Cc4ccccc4)n3)c2)ccc1C
InChIInChI=1S/C24H24N6O3/c1-16-8-9-19(26-24(16)33-13-12-32-2)18-10-11-25-20(15-18)28-23(31)22-27-21(29-30-22)14-17-6-4-3-5-7-17/h3-11,15H,12-14H2,1-2H3,(H,25,28,31)(H,27,29,30)
InChIKeyQCUNVGULKCCWRV-UHFFFAOYSA-N
XLogP3.44
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-benzyl-N-[4-[6-(2-methoxyethoxy)-5-methyl-2-pyridinyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

5-benzyl-N-[4-[2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide
CID 154658775
5-benzyl-N-[4-[5-(5-hydroxypentoxy)-2-methylphenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide
CID 154659059
5-benzyl-N-[4-(2-methyl-5-octoxyphenyl)-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide
CID 154658619
5-benzyl-N-[4-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide
CID 154658610
5-benzyl-N-[4-(3-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide
CID 155017870
5-benzyl-N-[4-[2-(2-hydroxyethoxy)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide
CID 154658593
5-benzyl-N-[4-[5-(3-hydroxypropyl)-2-methylphenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide
CID 154658605
5-benzyl-N-[4-[5-(4-hydroxy-4-methylpentoxy)-2-methylphenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide
CID 154658728
5-benzyl-N-[4-[5-(3-hydroxy-3-methylbutyl)-2-methylphenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide
CID 154658786
5-benzyl-N-[4-(2-ethyl-5-methylpyrazol-3-yl)-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide
CID 154659055
5-benzyl-N-[4-[5-(2-propan-2-yloxyethoxy)-2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide
CID 154658855
5-benzyl-N-[4-(2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide
CID 154658737

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[4-[6-(2-methoxyethoxy)-5-methyl-2-pyridinyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-benzyl-N-[4-[6-(2-methoxyethoxy)-5-methyl-2-pyridinyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide (CID 155017802) is 5-benzyl-N-[4-[6-(2-methoxyethoxy)-5-methyl-2-pyridinyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-benzyl-N-[4-[6-(2-methoxyethoxy)-5-methyl-2-pyridinyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-benzyl-N-[4-[6-(2-methoxyethoxy)-5-methyl-2-pyridinyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide is COCCOc1nc(-c2ccnc(NC(=O)c3n[nH]c(Cc4ccccc4)n3)c2)ccc1C.
What is the InChIKey of 5-benzyl-N-[4-[6-(2-methoxyethoxy)-5-methyl-2-pyridinyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is QCUNVGULKCCWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-16-8-9-19(26-24(16)33-13-12-32-2)18-10-11-25-20(15-18)28-23(31)22-27-21(29-30-22)14-17-6-4-3-5-7-17/h3-11,15H,12-14H2,1-2H3,(H,25,28,31)(H,27,29,30).
What are the key properties of 5-benzyl-N-[4-[6-(2-methoxyethoxy)-5-methyl-2-pyridinyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide?
5-benzyl-N-[4-[6-(2-methoxyethoxy)-5-methyl-2-pyridinyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-[4-[6-(2-methoxyethoxy)-5-methyl-2-pyridinyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 155017802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).