5-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpyridine-2-carboxamide

C14H21N3O3S — CID 109193128

IUPAC5-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C14H21N3O3S/c1-3-17(4-2)14(18)13-6-5-11(9-15-13)16-12-7-8-21(19,20)10-12/h5-6,9,12,16H,3-4,7-8,10H2,1-2H3
InChIKeyMCKMSAPFYPUJBF-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.16
Rot. Bonds5

About 5-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpyridine-2-carboxamide

5-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpyridine-2-carboxamide (PubChem CID 109193128) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 5-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpyridine-2-carboxamide
PubChem CID109193128
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name5-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C14H21N3O3S/c1-3-17(4-2)14(18)13-6-5-11(9-15-13)16-12-7-8-21(19,20)10-12/h5-6,9,12,16H,3-4,7-8,10H2,1-2H3
InChIKeyMCKMSAPFYPUJBF-UHFFFAOYSA-N
XLogP1.16
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-5-[(1,1-dioxothiolan-3-yl)amino]-N-methylpyridine-2-carboxamide
CID 109193135
N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109193031
N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109181435
5-[(1,1-dioxothiolan-3-yl)amino]-N-propan-2-ylpyridine-2-carboxamide
CID 109179484
5-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109189604
5-[(1,1-dioxothiolan-3-yl)amino]-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109193159
5-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190368
5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109193178
N-(1,1-dioxothiolan-3-yl)-5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104640345
N-(3-chlorophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109193168
N,N-diethyl-5-hydrazinylpyridine-2-carboxamide
CID 104642323
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-2-phenoxyacetamide
CID 113028633

Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpyridine-2-carboxamide?
The IUPAC name of 5-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpyridine-2-carboxamide (CID 109193128) is 5-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpyridine-2-carboxamide?
The canonical SMILES for 5-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpyridine-2-carboxamide is CCN(CC)C(=O)c1ccc(NC2CCS(=O)(=O)C2)cn1.
What is the InChIKey of 5-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpyridine-2-carboxamide?
The InChIKey is MCKMSAPFYPUJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-3-17(4-2)14(18)13-6-5-11(9-15-13)16-12-7-8-21(19,20)10-12/h5-6,9,12,16H,3-4,7-8,10H2,1-2H3.
What are the key properties of 5-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpyridine-2-carboxamide?
5-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpyridine-2-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpyridine-2-carboxamide is sourced from PubChem (CID 109193128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).