N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide

C25H24N4O3 — CID 17052353

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C25H24N4O3/c1-28(17-18-14-15-21(31-2)22(16-18)32-3)25(30)23-26-24(19-10-6-4-7-11-19)29(27-23)20-12-8-5-9-13-20/h4-16H,17H2,1-3H3
InChIKeyPYEZMXIVWXVJPG-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.22
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide (PubChem CID 17052353) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide
PubChem CID17052353
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C25H24N4O3/c1-28(17-18-14-15-21(31-2)22(16-18)32-3)25(30)23-26-24(19-10-6-4-7-11-19)29(27-23)20-12-8-5-9-13-20/h4-16H,17H2,1-3H3
InChIKeyPYEZMXIVWXVJPG-UHFFFAOYSA-N
XLogP4.22
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-(4-methylphenyl)-5-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-triazole-3-carboxamide
CID 17052382
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 17052400
5-cyclopropyl-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 86881324
N-(2-cyanoethyl)-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 78796847
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide
CID 34468319
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119653023
N-(2-methoxy-5-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4799422
N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-2-phenyltriazole-4-carboxamide
CID 26739400
6,7-dimethoxy-N-[(4-methoxyphenyl)methyl]-N-methyl-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39342575
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 42880927
1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide
CID 51143596
N-(5-carbamoyl-2-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55783247

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide (CID 17052353) is N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide is COc1ccc(CN(C)C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is PYEZMXIVWXVJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-28(17-18-14-15-21(31-2)22(16-18)32-3)25(30)23-26-24(19-10-6-4-7-11-19)29(27-23)20-12-8-5-9-13-20/h4-16H,17H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 17052353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).