4-[(5-imidazol-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methylbenzamide

C17H15N7O — CID 59276323

IUPAC4-[(5-imidazol-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Nc2nc3cccc(-n4ccnc4)n3n2)cc1
InChIInChI=1S/C17H15N7O/c1-18-16(25)12-5-7-13(8-6-12)20-17-21-14-3-2-4-15(24(14)22-17)23-10-9-19-11-23/h2-11H,1H3,(H,18,25)(H,20,22)
InChIKeyLFSWIJSYARVANQ-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.02
Rot. Bonds4

About 4-[(5-imidazol-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methylbenzamide

4-[(5-imidazol-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methylbenzamide (PubChem CID 59276323) has the molecular formula C17H15N7O and a molecular weight of 333.36 g/mol. Its IUPAC name is 4-[(5-imidazol-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(5-imidazol-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methylbenzamide
PubChem CID59276323
Molecular FormulaC17H15N7O
Molecular Weight333.36 g/mol
Exact Mass333.13
IUPAC Name4-[(5-imidazol-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Nc2nc3cccc(-n4ccnc4)n3n2)cc1
InChIInChI=1S/C17H15N7O/c1-18-16(25)12-5-7-13(8-6-12)20-17-21-14-3-2-4-15(24(14)22-17)23-10-9-19-11-23/h2-11H,1H3,(H,18,25)(H,20,22)
InChIKeyLFSWIJSYARVANQ-UHFFFAOYSA-N
XLogP2.02
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-imidazol-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methylbenzamide?
The IUPAC name of 4-[(5-imidazol-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methylbenzamide (CID 59276323) is 4-[(5-imidazol-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methylbenzamide.
What is the SMILES notation for 4-[(5-imidazol-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methylbenzamide?
The canonical SMILES for 4-[(5-imidazol-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methylbenzamide is CNC(=O)c1ccc(Nc2nc3cccc(-n4ccnc4)n3n2)cc1.
What is the InChIKey of 4-[(5-imidazol-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methylbenzamide?
The InChIKey is LFSWIJSYARVANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O/c1-18-16(25)12-5-7-13(8-6-12)20-17-21-14-3-2-4-15(24(14)22-17)23-10-9-19-11-23/h2-11H,1H3,(H,18,25)(H,20,22).
What are the key properties of 4-[(5-imidazol-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methylbenzamide?
4-[(5-imidazol-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methylbenzamide has a molecular weight of 333.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-imidazol-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methylbenzamide is sourced from PubChem (CID 59276323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).