2,4-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methyl-5-[4-(2-methylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]benzamide

C25H24N4O5 — CID 135899285

IUPAC2,4-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methyl-5-[4-(2-methylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]benzamide
SMILESCOc1ccccc1CN(C)C(=O)c1cc(-c2n[nH]c(=O)n2-c2ccccc2C)c(O)cc1O
InChIInChI=1S/C25H24N4O5/c1-15-8-4-6-10-19(15)29-23(26-27-25(29)33)17-12-18(21(31)13-20(17)30)24(32)28(2)14-16-9-5-7-11-22(16)34-3/h4-13,30-31H,14H2,1-3H3,(H,27,33)
InChIKeyFQIPFGKRHOOTMF-UHFFFAOYSA-N
MW460.49 g/mol
LogP3.23
Rot. Bonds6

About 2,4-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methyl-5-[4-(2-methylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]benzamide

2,4-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methyl-5-[4-(2-methylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]benzamide (PubChem CID 135899285) has the molecular formula C25H24N4O5 and a molecular weight of 460.49 g/mol. Its IUPAC name is 2,4-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methyl-5-[4-(2-methylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methyl-5-[4-(2-methylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]benzamide
PubChem CID135899285
Molecular FormulaC25H24N4O5
Molecular Weight460.49 g/mol
Exact Mass460.17
IUPAC Name2,4-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methyl-5-[4-(2-methylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]benzamide
SMILESCOc1ccccc1CN(C)C(=O)c1cc(-c2n[nH]c(=O)n2-c2ccccc2C)c(O)cc1O
InChIInChI=1S/C25H24N4O5/c1-15-8-4-6-10-19(15)29-23(26-27-25(29)33)17-12-18(21(31)13-20(17)30)24(32)28(2)14-16-9-5-7-11-22(16)34-3/h4-13,30-31H,14H2,1-3H3,(H,27,33)
InChIKeyFQIPFGKRHOOTMF-UHFFFAOYSA-N
XLogP3.23
TPSA120.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-N-[(furan-2-yl)methyl]-2,4-dihydroxy-N-methylbenzamide
CID 135567164
2,4-dihydroxy-N-methyl-5-[4-(2-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-N-[(thiophen-2-yl)methyl]benzamide
CID 135567176
N-butyl-5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide
CID 135567174
5-[2,4-dihydroxy-5-(N-benzyl-N-methylaminocarbonyl)phenyl]-4-(2-methylphenyl)-3-hydroxy-4H-1,2,4-triazole
CID 135812997
2,4-dihydroxy-N-methyl-N-[(3-methylphenyl)methyl]-5-[4-(2-methylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]benzamide
CID 136332673
2,4-dihydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-5-[4-(2-methylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]benzamide
CID 136332705
2,4-dihydroxy-N-methyl-N-[(2-methylphenyl)methyl]-5-[4-(2-methylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]benzamide
CID 136332728
2,4-dihydroxy-N-methyl-5-[4-(2-methylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 137292475
2,4-dihydroxy-N-methyl-5-[4-(2-methylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-N-propylbenzamide
CID 136330717
5-[4-(2-fluorophenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propylbenzamide
CID 136330718
5-[4-(2-fluorophenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-2,4-dihydroxybenzoic acid
CID 136330733
N-butyl-2,4-dihydroxy-N-methyl-5-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)benzamide
CID 137290217

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methyl-5-[4-(2-methylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of 2,4-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methyl-5-[4-(2-methylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]benzamide (CID 135899285) is 2,4-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methyl-5-[4-(2-methylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methyl-5-[4-(2-methylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for 2,4-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methyl-5-[4-(2-methylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]benzamide is COc1ccccc1CN(C)C(=O)c1cc(-c2n[nH]c(=O)n2-c2ccccc2C)c(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methyl-5-[4-(2-methylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]benzamide?
The InChIKey is FQIPFGKRHOOTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5/c1-15-8-4-6-10-19(15)29-23(26-27-25(29)33)17-12-18(21(31)13-20(17)30)24(32)28(2)14-16-9-5-7-11-22(16)34-3/h4-13,30-31H,14H2,1-3H3,(H,27,33).
What are the key properties of 2,4-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methyl-5-[4-(2-methylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]benzamide?
2,4-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methyl-5-[4-(2-methylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]benzamide has a molecular weight of 460.49 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methyl-5-[4-(2-methylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 135899285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).