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

C17H20N6O4S — CID 56932226

IUPACmethyl N-[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate
SMILESCOC(=O)Nc1nc2ccc(-c3cncc(S(=O)(=O)NC(C)(C)C)c3)cn2n1
InChIInChI=1S/C17H20N6O4S/c1-17(2,3)22-28(25,26)13-7-12(8-18-9-13)11-5-6-14-19-15(20-16(24)27-4)21-23(14)10-11/h5-10,22H,1-4H3,(H,20,21,24)
InChIKeyOBOMQSVDOCYISI-UHFFFAOYSA-N
MW404.45 g/mol
LogP2.05
Rot. Bonds4

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

methyl N-[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate (PubChem CID 56932226) has the molecular formula C17H20N6O4S and a molecular weight of 404.45 g/mol. Its IUPAC name is methyl N-[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate
PubChem CID56932226
Molecular FormulaC17H20N6O4S
Molecular Weight404.45 g/mol
Exact Mass404.13
IUPAC Namemethyl N-[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate
SMILESCOC(=O)Nc1nc2ccc(-c3cncc(S(=O)(=O)NC(C)(C)C)c3)cn2n1
InChIInChI=1S/C17H20N6O4S/c1-17(2,3)22-28(25,26)13-7-12(8-18-9-13)11-5-6-14-19-15(20-16(24)27-4)21-23(14)10-11/h5-10,22H,1-4H3,(H,20,21,24)
InChIKeyOBOMQSVDOCYISI-UHFFFAOYSA-N
XLogP2.05
TPSA127.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl N-[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate?
The IUPAC name of methyl N-[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate (CID 56932226) is methyl N-[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate.
What is the SMILES notation for methyl N-[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate?
The canonical SMILES for methyl N-[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate is COC(=O)Nc1nc2ccc(-c3cncc(S(=O)(=O)NC(C)(C)C)c3)cn2n1.
What is the InChIKey of methyl N-[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate?
The InChIKey is OBOMQSVDOCYISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O4S/c1-17(2,3)22-28(25,26)13-7-12(8-18-9-13)11-5-6-14-19-15(20-16(24)27-4)21-23(14)10-11/h5-10,22H,1-4H3,(H,20,21,24).
What are the key properties of methyl N-[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate?
methyl N-[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate has a molecular weight of 404.45 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate is sourced from PubChem (CID 56932226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).