6-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylpyridine-3-carboxamide

C12H17N3O3S — CID 78956287

IUPAC6-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NC2CCS(=O)(=O)C2)nc1
InChIInChI=1S/C12H17N3O3S/c1-15(2)12(16)9-3-4-11(13-7-9)14-10-5-6-19(17,18)8-10/h3-4,7,10H,5-6,8H2,1-2H3,(H,13,14)
InChIKeyCOVQLMFZLHUZFV-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.38
Rot. Bonds3

About 6-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylpyridine-3-carboxamide

6-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 78956287) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 6-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylpyridine-3-carboxamide
PubChem CID78956287
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name6-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NC2CCS(=O)(=O)C2)nc1
InChIInChI=1S/C12H17N3O3S/c1-15(2)12(16)9-3-4-11(13-7-9)14-10-5-6-19(17,18)8-10/h3-4,7,10H,5-6,8H2,1-2H3,(H,13,14)
InChIKeyCOVQLMFZLHUZFV-UHFFFAOYSA-N
XLogP0.38
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109159319
4-chloro-3-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylbenzamide
CID 63162774
N-(1,1-dioxothiolan-3-yl)-5-methoxypyridin-2-amine
CID 106503952
6-[(1,1-dioxothiolan-3-yl)amino]-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109159281
N,N-dimethyl-6-[(4-propan-2-ylcycloheptyl)amino]pyridine-3-carboxamide
CID 133479815
N-[(2-chlorophenyl)methyl]-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109156849
N-[2-(4-chlorophenyl)ethyl]-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109159261
N-(3-chloro-4-methylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109159297
6-[(1,1-dioxothiolan-3-yl)amino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109158925
N-(2,5-dimethoxyphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109159310
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109159498
N,N-dimethyl-6-[(1-propanoylpyrrolidin-3-yl)amino]pyridine-3-carboxamide
CID 133366737

Frequently Asked Questions

What is the IUPAC name of 6-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylpyridine-3-carboxamide (CID 78956287) is 6-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc(NC2CCS(=O)(=O)C2)nc1.
What is the InChIKey of 6-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is COVQLMFZLHUZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-15(2)12(16)9-3-4-11(13-7-9)14-10-5-6-19(17,18)8-10/h3-4,7,10H,5-6,8H2,1-2H3,(H,13,14).
What are the key properties of 6-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylpyridine-3-carboxamide?
6-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 283.35 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 78956287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).