2-(2,4-dimethylphenyl)-5-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]triazole-4-carboxamide

C26H27N5O2 — CID 46454013

IUPAC2-(2,4-dimethylphenyl)-5-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]triazole-4-carboxamide
SMILESCc1ccc(-n2nc(C)c(C(=O)NC(C)c3ccc(OCc4cccnc4)cc3)n2)c(C)c1
InChIInChI=1S/C26H27N5O2/c1-17-7-12-24(18(2)14-17)31-29-20(4)25(30-31)26(32)28-19(3)22-8-10-23(11-9-22)33-16-21-6-5-13-27-15-21/h5-15,19H,16H2,1-4H3,(H,28,32)
InChIKeyKUGMGIFEGACYMA-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.66
Rot. Bonds7

About 2-(2,4-dimethylphenyl)-5-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]triazole-4-carboxamide

2-(2,4-dimethylphenyl)-5-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]triazole-4-carboxamide (PubChem CID 46454013) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-5-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-5-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]triazole-4-carboxamide
PubChem CID46454013
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name2-(2,4-dimethylphenyl)-5-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]triazole-4-carboxamide
SMILESCc1ccc(-n2nc(C)c(C(=O)NC(C)c3ccc(OCc4cccnc4)cc3)n2)c(C)c1
InChIInChI=1S/C26H27N5O2/c1-17-7-12-24(18(2)14-17)31-29-20(4)25(30-31)26(32)28-19(3)22-8-10-23(11-9-22)33-16-21-6-5-13-27-15-21/h5-15,19H,16H2,1-4H3,(H,28,32)
InChIKeyKUGMGIFEGACYMA-UHFFFAOYSA-N
XLogP4.66
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2,4-dimethylphenyl)-5-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]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

2,5-dimethyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 46454003
4-bromo-5-propan-2-yl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-1H-pyrazole-3-carboxamide
CID 56567640
2-propan-2-ylsulfanyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 55967852
1-(4-methylphenyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55692630
2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 51943853
5-bromo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide
CID 55692986
2-(2-oxo-1-pyridinyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 46470469
5-(methoxymethyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide
CID 78872272
5-(ethylsulfamoyl)-2-methyl-N-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 51658233
N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55838629
2-(2,4-dimethylphenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]triazole-4-carboxamide
CID 43024663
2-(2-phenylethoxy)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 86871872

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-5-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]triazole-4-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-5-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]triazole-4-carboxamide (CID 46454013) is 2-(2,4-dimethylphenyl)-5-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]triazole-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-5-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]triazole-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-5-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]triazole-4-carboxamide is Cc1ccc(-n2nc(C)c(C(=O)NC(C)c3ccc(OCc4cccnc4)cc3)n2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-5-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]triazole-4-carboxamide?
The InChIKey is KUGMGIFEGACYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-17-7-12-24(18(2)14-17)31-29-20(4)25(30-31)26(32)28-19(3)22-8-10-23(11-9-22)33-16-21-6-5-13-27-15-21/h5-15,19H,16H2,1-4H3,(H,28,32).
What are the key properties of 2-(2,4-dimethylphenyl)-5-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]triazole-4-carboxamide?
2-(2,4-dimethylphenyl)-5-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]triazole-4-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-5-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]triazole-4-carboxamide is sourced from PubChem (CID 46454013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).