N-[3-(dimethylamino)-2,2-dimethylpropyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide

C13H19N5OS — CID 91948971

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)c1cnc2nsnc2c1
InChIInChI=1S/C13H19N5OS/c1-13(2,8-18(3)4)7-15-12(19)9-5-10-11(14-6-9)17-20-16-10/h5-6H,7-8H2,1-4H3,(H,15,19)
InChIKeyPZRNVUGKAWPFMI-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.40
Rot. Bonds5

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide (PubChem CID 91948971) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
PubChem CID91948971
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)c1cnc2nsnc2c1
InChIInChI=1S/C13H19N5OS/c1-13(2,8-18(3)4)7-15-12(19)9-5-10-11(14-6-9)17-20-16-10/h5-6H,7-8H2,1-4H3,(H,15,19)
InChIKeyPZRNVUGKAWPFMI-UHFFFAOYSA-N
XLogP1.40
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide (CID 91948971) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide is CN(C)CC(C)(C)CNC(=O)c1cnc2nsnc2c1.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide?
The InChIKey is PZRNVUGKAWPFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-13(2,8-18(3)4)7-15-12(19)9-5-10-11(14-6-9)17-20-16-10/h5-6H,7-8H2,1-4H3,(H,15,19).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide has a molecular weight of 293.40 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 91948971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).