N-(1,1-dioxothiolan-3-yl)-2-ethyl-6-oxo-1H-pyridine-3-carboxamide

C12H16N2O4S — CID 156586122

IUPACN-(1,1-dioxothiolan-3-yl)-2-ethyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCCc1[nH]c(=O)ccc1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C12H16N2O4S/c1-2-10-9(3-4-11(15)14-10)12(16)13-8-5-6-19(17,18)7-8/h3-4,8H,2,5-7H2,1H3,(H,13,16)(H,14,15)
InChIKeyFZRRULYDUYTFBB-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.15
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-2-ethyl-6-oxo-1H-pyridine-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-2-ethyl-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 156586122) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-ethyl-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-ethyl-6-oxo-1H-pyridine-3-carboxamide
PubChem CID156586122
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-ethyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCCc1[nH]c(=O)ccc1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C12H16N2O4S/c1-2-10-9(3-4-11(15)14-10)12(16)13-8-5-6-19(17,18)7-8/h3-4,8H,2,5-7H2,1H3,(H,13,16)(H,14,15)
InChIKeyFZRRULYDUYTFBB-UHFFFAOYSA-N
XLogP-0.15
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30789067
2,4-dichloro-N-(1,1-dioxothiolan-3-yl)benzamide
CID 3126628
2,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7090741
2-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259720
4-chloro-N-(1,1-dioxothiolan-3-yl)-2-hydroxybenzamide
CID 43176547
N-[(3R)-1,1-dioxothiolan-3-yl]-1,5-dimethylpyrazole-4-carboxamide
CID 94550055
2,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259782
2-anilino-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 27710336
2-amino-N-(1,1-dioxothiolan-3-yl)-5-methylbenzamide
CID 62073959
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylthiophene-2-carboxamide
CID 30789391
5-[(1,1-dioxothiolan-3-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821087

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-ethyl-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-ethyl-6-oxo-1H-pyridine-3-carboxamide (CID 156586122) is N-(1,1-dioxothiolan-3-yl)-2-ethyl-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-ethyl-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-ethyl-6-oxo-1H-pyridine-3-carboxamide is CCc1[nH]c(=O)ccc1C(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-ethyl-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is FZRRULYDUYTFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-2-10-9(3-4-11(15)14-10)12(16)13-8-5-6-19(17,18)7-8/h3-4,8H,2,5-7H2,1H3,(H,13,16)(H,14,15).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-ethyl-6-oxo-1H-pyridine-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-2-ethyl-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 284.34 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-ethyl-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 156586122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).