2-(2,4-dimethylphenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]triazole-4-carboxamide

C24H23N5O — CID 43024663

IUPAC2-(2,4-dimethylphenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]triazole-4-carboxamide
SMILESCc1ccc(-n2nc(C)c(C(=O)NC(c3ccccc3)c3ccccn3)n2)c(C)c1
InChIInChI=1S/C24H23N5O/c1-16-12-13-21(17(2)15-16)29-27-18(3)22(28-29)24(30)26-23(19-9-5-4-6-10-19)20-11-7-8-14-25-20/h4-15,23H,1-3H3,(H,26,30)
InChIKeyBEADBJPTMUIOKP-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.11
Rot. Bonds5

About 2-(2,4-dimethylphenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]triazole-4-carboxamide

2-(2,4-dimethylphenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]triazole-4-carboxamide (PubChem CID 43024663) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]triazole-4-carboxamide
PubChem CID43024663
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name2-(2,4-dimethylphenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]triazole-4-carboxamide
SMILESCc1ccc(-n2nc(C)c(C(=O)NC(c3ccccc3)c3ccccn3)n2)c(C)c1
InChIInChI=1S/C24H23N5O/c1-16-12-13-21(17(2)15-16)29-27-18(3)22(28-29)24(30)26-23(19-9-5-4-6-10-19)20-11-7-8-14-25-20/h4-15,23H,1-3H3,(H,26,30)
InChIKeyBEADBJPTMUIOKP-UHFFFAOYSA-N
XLogP4.11
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,4-dimethylphenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dimethylphenyl)-5-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]triazole-4-carboxamide
CID 55647317
2-(2,4-dimethylphenyl)-N'-(2-hydroxybenzoyl)-5-methyltriazole-4-carbohydrazide
CID 27698207
2-(2,4-dimethylphenyl)-5-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]triazole-4-carboxamide
CID 46454013
2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide
CID 134052696
2-(2,4-dimethylphenyl)-5-methyl-N-[3-(methylcarbamoyl)phenyl]triazole-4-carboxamide
CID 46806969
1-methyl-2-oxo-N-[(R)-phenyl(pyridin-2-yl)methyl]pyridine-4-carboxamide
CID 94001377
2,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide
CID 78779504
5-methyl-1-phenyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide
CID 51927508
3-benzamido-4-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 51939981
3,5-dimethoxy-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 25392445
2-methyl-N-[phenyl(pyridin-2-yl)methyl]furan-3-carboxamide
CID 46554509
2,5-difluoro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
CID 51885946

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]triazole-4-carboxamide (CID 43024663) is 2-(2,4-dimethylphenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]triazole-4-carboxamide is Cc1ccc(-n2nc(C)c(C(=O)NC(c3ccccc3)c3ccccn3)n2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]triazole-4-carboxamide?
The InChIKey is BEADBJPTMUIOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-16-12-13-21(17(2)15-16)29-27-18(3)22(28-29)24(30)26-23(19-9-5-4-6-10-19)20-11-7-8-14-25-20/h4-15,23H,1-3H3,(H,26,30).
What are the key properties of 2-(2,4-dimethylphenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]triazole-4-carboxamide?
2-(2,4-dimethylphenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]triazole-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 43024663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).