3-methyl-N-(4-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide

C20H17N5O — CID 53067645

IUPAC3-methyl-N-(4-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-n3nnc4cccnc43)c(C)c2)cc1
InChIInChI=1S/C20H17N5O/c1-13-5-8-16(9-6-13)22-20(26)15-7-10-18(14(2)12-15)25-19-17(23-24-25)4-3-11-21-19/h3-12H,1-2H3,(H,22,26)
InChIKeyKEMWWWNWQCYKSJ-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.68
Rot. Bonds3

About 3-methyl-N-(4-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide

3-methyl-N-(4-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (PubChem CID 53067645) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-methyl-N-(4-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(4-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
PubChem CID53067645
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name3-methyl-N-(4-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-n3nnc4cccnc43)c(C)c2)cc1
InChIInChI=1S/C20H17N5O/c1-13-5-8-16(9-6-13)22-20(26)15-7-10-18(14(2)12-15)25-19-17(23-24-25)4-3-11-21-19/h3-12H,1-2H3,(H,22,26)
InChIKeyKEMWWWNWQCYKSJ-UHFFFAOYSA-N
XLogP3.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-(4-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)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

3-methyl-N-[(3-methylphenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067625
N-(4-ethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067502
N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067637
N-(3-methylsulfanylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067517
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
N-(2-fluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53006193
N-(3-acetylphenyl)-2-chloro-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067570
6-methyl-N-(4-methylphenyl)-5-oxopyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
CID 53173341
4-bromo-3-methyl-N-(4-methylphenyl)benzamide
CID 113396750
4-ethenyl-3-methyl-N-(4-methylphenyl)benzamide
CID 20735310
2-chloro-N-(2-methoxy-5-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067576
4-methyl-N-[4-(pyrimidin-2-ylamino)sulfanylphenyl]benzamide
CID 145039658

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The IUPAC name of 3-methyl-N-(4-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (CID 53067645) is 3-methyl-N-(4-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.
What is the SMILES notation for 3-methyl-N-(4-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The canonical SMILES for 3-methyl-N-(4-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is Cc1ccc(NC(=O)c2ccc(-n3nnc4cccnc43)c(C)c2)cc1.
What is the InChIKey of 3-methyl-N-(4-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The InChIKey is KEMWWWNWQCYKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-13-5-8-16(9-6-13)22-20(26)15-7-10-18(14(2)12-15)25-19-17(23-24-25)4-3-11-21-19/h3-12H,1-2H3,(H,22,26).
What are the key properties of 3-methyl-N-(4-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
3-methyl-N-(4-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide has a molecular weight of 343.39 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 53067645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).