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

C20H26N8O4S — CID 46202808

IUPAC2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNC(=O)Nc1nc2ccc(-c3cncc(S(=O)(=O)NC(C)(C)C)c3)cn2n1
InChIInChI=1S/C20H26N8O4S/c1-20(2,3)26-33(31,32)15-8-14(9-21-10-15)13-6-7-16-23-18(25-28(16)12-13)24-19(30)22-11-17(29)27(4)5/h6-10,12,26H,11H2,1-5H3,(H2,22,24,25,30)
InChIKeyRXGDQEJCSZROIK-UHFFFAOYSA-N
MW474.55 g/mol
LogP1.08
Rot. Bonds6

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

2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]-N,N-dimethylacetamide (PubChem CID 46202808) has the molecular formula C20H26N8O4S and a molecular weight of 474.55 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,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]-N,N-dimethylacetamide
PubChem CID46202808
Molecular FormulaC20H26N8O4S
Molecular Weight474.55 g/mol
Exact Mass474.18
IUPAC Name2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNC(=O)Nc1nc2ccc(-c3cncc(S(=O)(=O)NC(C)(C)C)c3)cn2n1
InChIInChI=1S/C20H26N8O4S/c1-20(2,3)26-33(31,32)15-8-14(9-21-10-15)13-6-7-16-23-18(25-28(16)12-13)24-19(30)22-11-17(29)27(4)5/h6-10,12,26H,11H2,1-5H3,(H2,22,24,25,30)
InChIKeyRXGDQEJCSZROIK-UHFFFAOYSA-N
XLogP1.08
TPSA150.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.55
LogP ≤ 51.08
H-Bond Donors ≤ 53
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,N-dimethylacetamide?
The IUPAC name of 2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]-N,N-dimethylacetamide (CID 46202808) is 2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]-N,N-dimethylacetamide.
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,N-dimethylacetamide?
The canonical SMILES for 2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]-N,N-dimethylacetamide is CN(C)C(=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,N-dimethylacetamide?
The InChIKey is RXGDQEJCSZROIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O4S/c1-20(2,3)26-33(31,32)15-8-14(9-21-10-15)13-6-7-16-23-18(25-28(16)12-13)24-19(30)22-11-17(29)27(4)5/h6-10,12,26H,11H2,1-5H3,(H2,22,24,25,30).
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,N-dimethylacetamide?
2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]-N,N-dimethylacetamide has a molecular weight of 474.55 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 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,N-dimethylacetamide is sourced from PubChem (CID 46202808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).