5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-benzylpyridine-3-sulfonamide

C18H16N6O2S — CID 44621452

IUPAC5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-benzylpyridine-3-sulfonamide
SMILESNc1nc2cc(-c3cncc(S(=O)(=O)NCc4ccccc4)c3)ccn2n1
InChIInChI=1S/C18H16N6O2S/c19-18-22-17-9-14(6-7-24(17)23-18)15-8-16(12-20-11-15)27(25,26)21-10-13-4-2-1-3-5-13/h1-9,11-12,21H,10H2,(H2,19,23)
InChIKeyAGOVQMAPVNSPIZ-UHFFFAOYSA-N
MW380.43 g/mol
LogP1.85
Rot. Bonds5

About 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-benzylpyridine-3-sulfonamide

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-benzylpyridine-3-sulfonamide (PubChem CID 44621452) has the molecular formula C18H16N6O2S and a molecular weight of 380.43 g/mol. Its IUPAC name is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-benzylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-benzylpyridine-3-sulfonamide
PubChem CID44621452
Molecular FormulaC18H16N6O2S
Molecular Weight380.43 g/mol
Exact Mass380.11
IUPAC Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-benzylpyridine-3-sulfonamide
SMILESNc1nc2cc(-c3cncc(S(=O)(=O)NCc4ccccc4)c3)ccn2n1
InChIInChI=1S/C18H16N6O2S/c19-18-22-17-9-14(6-7-24(17)23-18)15-8-16(12-20-11-15)27(25,26)21-10-13-4-2-1-3-5-13/h1-9,11-12,21H,10H2,(H2,19,23)
InChIKeyAGOVQMAPVNSPIZ-UHFFFAOYSA-N
XLogP1.85
TPSA115.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-benzylpyridine-3-sulfonamide?
The IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-benzylpyridine-3-sulfonamide (CID 44621452) is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-benzylpyridine-3-sulfonamide.
What is the SMILES notation for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-benzylpyridine-3-sulfonamide?
The canonical SMILES for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-benzylpyridine-3-sulfonamide is Nc1nc2cc(-c3cncc(S(=O)(=O)NCc4ccccc4)c3)ccn2n1.
What is the InChIKey of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-benzylpyridine-3-sulfonamide?
The InChIKey is AGOVQMAPVNSPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2S/c19-18-22-17-9-14(6-7-24(17)23-18)15-8-16(12-20-11-15)27(25,26)21-10-13-4-2-1-3-5-13/h1-9,11-12,21H,10H2,(H2,19,23).
What are the key properties of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-benzylpyridine-3-sulfonamide?
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-benzylpyridine-3-sulfonamide has a molecular weight of 380.43 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-benzylpyridine-3-sulfonamide is sourced from PubChem (CID 44621452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).