N-(2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide

C12H8N4OS — CID 767617

IUPACN-(2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc2nsnc12)c1cccnc1
InChIInChI=1S/C12H8N4OS/c17-12(8-3-2-6-13-7-8)14-9-4-1-5-10-11(9)16-18-15-10/h1-7H,(H,14,17)
InChIKeyBDTNYQFHZMRCNZ-UHFFFAOYSA-N
MW256.29 g/mol
LogP2.34
Rot. Bonds2

About N-(2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide

N-(2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide (PubChem CID 767617) has the molecular formula C12H8N4OS and a molecular weight of 256.29 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
PubChem CID767617
Molecular FormulaC12H8N4OS
Molecular Weight256.29 g/mol
Exact Mass256.04
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc2nsnc12)c1cccnc1
InChIInChI=1S/C12H8N4OS/c17-12(8-3-2-6-13-7-8)14-9-4-1-5-10-11(9)16-18-15-10/h1-7H,(H,14,17)
InChIKeyBDTNYQFHZMRCNZ-UHFFFAOYSA-N
XLogP2.34
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide (CID 767617) is N-(2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide is O=C(Nc1cccc2nsnc12)c1cccnc1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide?
The InChIKey is BDTNYQFHZMRCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4OS/c17-12(8-3-2-6-13-7-8)14-9-4-1-5-10-11(9)16-18-15-10/h1-7H,(H,14,17).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide?
N-(2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide has a molecular weight of 256.29 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 767617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).