4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-(pyridin-3-ylmethyl)benzamide

C25H20N6O — CID 44626155

IUPAC4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1
InChIInChI=1S/C25H20N6O/c32-24(27-17-18-6-5-15-26-16-18)20-13-11-19(12-14-20)22-9-4-10-23-29-25(30-31(22)23)28-21-7-2-1-3-8-21/h1-16H,17H2,(H,27,32)(H,28,30)
InChIKeyXEIOSOHQVDAAFL-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.46
Rot. Bonds6

About 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-(pyridin-3-ylmethyl)benzamide

4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 44626155) has the molecular formula C25H20N6O and a molecular weight of 420.48 g/mol. Its IUPAC name is 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID44626155
Molecular FormulaC25H20N6O
Molecular Weight420.48 g/mol
Exact Mass420.17
IUPAC Name4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1
InChIInChI=1S/C25H20N6O/c32-24(27-17-18-6-5-15-26-16-18)20-13-11-19(12-14-20)22-9-4-10-23-29-25(30-31(22)23)28-21-7-2-1-3-8-21/h1-16H,17H2,(H,27,32)(H,28,30)
InChIKeyXEIOSOHQVDAAFL-UHFFFAOYSA-N
XLogP4.46
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-(pyridin-3-ylmethyl)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

N-methyl-4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide
CID 141394362
4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]benzamide
CID 70929920
4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 44625185
5-(4-aminophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59276560
5-(4-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186476
4-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 91017506
4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-pyridin-3-ylbenzamide;cyclopropanecarboxylic acid
CID 160687391
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 44624635
4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-amino-2-methylpropyl)benzamide
CID 44556160
4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 53045981
1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 27554728

Frequently Asked Questions

What is the IUPAC name of 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-(pyridin-3-ylmethyl)benzamide (CID 44626155) is 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-(pyridin-3-ylmethyl)benzamide is O=C(NCc1cccnc1)c1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1.
What is the InChIKey of 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is XEIOSOHQVDAAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O/c32-24(27-17-18-6-5-15-26-16-18)20-13-11-19(12-14-20)22-9-4-10-23-29-25(30-31(22)23)28-21-7-2-1-3-8-21/h1-16H,17H2,(H,27,32)(H,28,30).
What are the key properties of 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-(pyridin-3-ylmethyl)benzamide?
4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 420.48 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 44626155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).