N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide

C13H18N2O3S — CID 110697417

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide
SMILESCCN(C(=O)c1cccc(C)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H18N2O3S/c1-3-15(11-7-8-19(17,18)9-11)13(16)12-6-4-5-10(2)14-12/h4-6,11H,3,7-9H2,1-2H3
InChIKeyMDHZSZLIRWYEMC-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.04
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide (PubChem CID 110697417) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide
PubChem CID110697417
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide
SMILESCCN(C(=O)c1cccc(C)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H18N2O3S/c1-3-15(11-7-8-19(17,18)9-11)13(16)12-6-4-5-10(2)14-12/h4-6,11H,3,7-9H2,1-2H3
InChIKeyMDHZSZLIRWYEMC-UHFFFAOYSA-N
XLogP1.04
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide
CID 109331915
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109096016
6-[(1,1-dioxothiolan-3-yl)-propylcarbamoyl]pyridine-2-carboxylic acid
CID 119179508
6-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide
CID 109123689
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylnaphthalene-2-carboxamide
CID 9245593
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methylquinoxaline-2-carboxamide
CID 110853820
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
CID 18573581
6-[butyl-(1,1-dioxothiolan-3-yl)carbamoyl]pyridine-2-carboxylic acid
CID 119179473
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-methyl-1-(3-methylphenyl)pyrazole-3-carboxamide
CID 110372840
4-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylbenzamide
CID 7259739
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(N-methylanilino)pyridazine-3-carboxamide
CID 109123703
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-methyl-1H-benzimidazole-4-carboxamide
CID 110701040

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide (CID 110697417) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide is CCN(C(=O)c1cccc(C)n1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide?
The InChIKey is MDHZSZLIRWYEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-3-15(11-7-8-19(17,18)9-11)13(16)12-6-4-5-10(2)14-12/h4-6,11H,3,7-9H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide has a molecular weight of 282.36 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 110697417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).