N-cycloheptyl-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide

C13H16N4OS — CID 91948867

IUPACN-cycloheptyl-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
SMILESO=C(NC1CCCCCC1)c1cnc2nsnc2c1
InChIInChI=1S/C13H16N4OS/c18-13(15-10-5-3-1-2-4-6-10)9-7-11-12(14-8-9)17-19-16-11/h7-8,10H,1-6H2,(H,15,18)
InChIKeyKEDDYFILCRBVGR-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.54
Rot. Bonds2

About N-cycloheptyl-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide

N-cycloheptyl-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide (PubChem CID 91948867) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is N-cycloheptyl-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
PubChem CID91948867
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC NameN-cycloheptyl-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
SMILESO=C(NC1CCCCCC1)c1cnc2nsnc2c1
InChIInChI=1S/C13H16N4OS/c18-13(15-10-5-3-1-2-4-6-10)9-7-11-12(14-8-9)17-19-16-11/h7-8,10H,1-6H2,(H,15,18)
InChIKeyKEDDYFILCRBVGR-UHFFFAOYSA-N
XLogP2.54
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide?
The IUPAC name of N-cycloheptyl-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide (CID 91948867) is N-cycloheptyl-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide.
What is the SMILES notation for N-cycloheptyl-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide?
The canonical SMILES for N-cycloheptyl-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide is O=C(NC1CCCCCC1)c1cnc2nsnc2c1.
What is the InChIKey of N-cycloheptyl-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide?
The InChIKey is KEDDYFILCRBVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c18-13(15-10-5-3-1-2-4-6-10)9-7-11-12(14-8-9)17-19-16-11/h7-8,10H,1-6H2,(H,15,18).
What are the key properties of N-cycloheptyl-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide?
N-cycloheptyl-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 91948867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).