3,5-dimethoxy-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide

C19H20N4O3 — CID 39263384

IUPAC3,5-dimethoxy-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2cccc(-c3nncn3C)c2)cc(OC)c1C
InChIInChI=1S/C19H20N4O3/c1-12-16(25-3)9-14(10-17(12)26-4)19(24)21-15-7-5-6-13(8-15)18-22-20-11-23(18)2/h5-11H,1-4H3,(H,21,24)
InChIKeyHCSJTAJGLWWTQW-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.06
Rot. Bonds5

About 3,5-dimethoxy-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide

3,5-dimethoxy-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide (PubChem CID 39263384) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3,5-dimethoxy-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
PubChem CID39263384
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name3,5-dimethoxy-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2cccc(-c3nncn3C)c2)cc(OC)c1C
InChIInChI=1S/C19H20N4O3/c1-12-16(25-3)9-14(10-17(12)26-4)19(24)21-15-7-5-6-13(8-15)18-22-20-11-23(18)2/h5-11H,1-4H3,(H,21,24)
InChIKeyHCSJTAJGLWWTQW-UHFFFAOYSA-N
XLogP3.06
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,5-dimethoxy-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide 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

4-ethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 39032770
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 38314118
4-chloro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 43070910
4-(methylsulfonylmethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 39034668
4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-nitrobenzamide
CID 39035457
2-bromo-5-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide
CID 75401167
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2H-triazole-4-carboxamide
CID 112733395
2-bromo-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide
CID 114014321
2-tert-butyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 136579100
2-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride
CID 119293663
4-tert-butyl-N-[2-[3-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]benzamide
CID 38313833
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-propan-2-ylpyrimidine-5-carboxamide
CID 136577197

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide?
The IUPAC name of 3,5-dimethoxy-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide (CID 39263384) is 3,5-dimethoxy-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide is COc1cc(C(=O)Nc2cccc(-c3nncn3C)c2)cc(OC)c1C.
What is the InChIKey of 3,5-dimethoxy-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide?
The InChIKey is HCSJTAJGLWWTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12-16(25-3)9-14(10-17(12)26-4)19(24)21-15-7-5-6-13(8-15)18-22-20-11-23(18)2/h5-11H,1-4H3,(H,21,24).
What are the key properties of 3,5-dimethoxy-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide?
3,5-dimethoxy-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide has a molecular weight of 352.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 39263384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).