2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]-N-methylacetamide

C19H24N8O4S — CID 70692650

IUPAC2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]-N-methylacetamide
SMILESCNC(=O)CNC(=O)Nc1nc2ccc(-c3cncc(S(=O)(=O)NC(C)(C)C)c3)cn2n1
InChIInChI=1S/C19H24N8O4S/c1-19(2,3)26-32(30,31)14-7-13(8-21-9-14)12-5-6-15-23-17(25-27(15)11-12)24-18(29)22-10-16(28)20-4/h5-9,11,26H,10H2,1-4H3,(H,20,28)(H2,22,24,25,29)
InChIKeyJNHDBBKZWUWKLB-UHFFFAOYSA-N
MW460.52 g/mol
LogP0.74
Rot. Bonds6

About 2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]-N-methylacetamide

2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]-N-methylacetamide (PubChem CID 70692650) has the molecular formula C19H24N8O4S and a molecular weight of 460.52 g/mol. Its IUPAC name is 2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]-N-methylacetamide
PubChem CID70692650
Molecular FormulaC19H24N8O4S
Molecular Weight460.52 g/mol
Exact Mass460.16
IUPAC Name2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]-N-methylacetamide
SMILESCNC(=O)CNC(=O)Nc1nc2ccc(-c3cncc(S(=O)(=O)NC(C)(C)C)c3)cn2n1
InChIInChI=1S/C19H24N8O4S/c1-19(2,3)26-32(30,31)14-7-13(8-21-9-14)12-5-6-15-23-17(25-27(15)11-12)24-18(29)22-10-16(28)20-4/h5-9,11,26H,10H2,1-4H3,(H,20,28)(H2,22,24,25,29)
InChIKeyJNHDBBKZWUWKLB-UHFFFAOYSA-N
XLogP0.74
TPSA159.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.52
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]-N-methylacetamide?
The IUPAC name of 2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]-N-methylacetamide (CID 70692650) is 2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]-N-methylacetamide?
The canonical SMILES for 2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]-N-methylacetamide is CNC(=O)CNC(=O)Nc1nc2ccc(-c3cncc(S(=O)(=O)NC(C)(C)C)c3)cn2n1.
What is the InChIKey of 2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]-N-methylacetamide?
The InChIKey is JNHDBBKZWUWKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O4S/c1-19(2,3)26-32(30,31)14-7-13(8-21-9-14)12-5-6-15-23-17(25-27(15)11-12)24-18(29)22-10-16(28)20-4/h5-9,11,26H,10H2,1-4H3,(H,20,28)(H2,22,24,25,29).
What are the key properties of 2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]-N-methylacetamide?
2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]-N-methylacetamide has a molecular weight of 460.52 g/mol, XLogP of 0.74, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]-N-methylacetamide is sourced from PubChem (CID 70692650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).