5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide

C14H21N3O4S — CID 109183862

IUPAC5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1ccc(N(C)C2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C14H21N3O4S/c1-17(12-5-8-22(19,20)10-12)11-3-4-13(16-9-11)14(18)15-6-7-21-2/h3-4,9,12H,5-8,10H2,1-2H3,(H,15,18)
InChIKeyJDALIEQUHWGYNF-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.08
Rot. Bonds6

About 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide

5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide (PubChem CID 109183862) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide
PubChem CID109183862
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1ccc(N(C)C2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C14H21N3O4S/c1-17(12-5-8-22(19,20)10-12)11-3-4-13(16-9-11)14(18)15-6-7-21-2/h3-4,9,12H,5-8,10H2,1-2H3,(H,15,18)
InChIKeyJDALIEQUHWGYNF-UHFFFAOYSA-N
XLogP0.08
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-pentylpyridine-2-carboxamide
CID 109193284
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109193310
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109193321
5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(2-methoxyethyl)pyrazine-2-carboxamide
CID 109275699
N-(3-chloro-4-methylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide
CID 109193318
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethyl-6-methylphenyl)pyridine-2-carboxamide
CID 109193306
N-(3-acetylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide
CID 109193326
5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carbothioamide
CID 115488276
6-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide
CID 109364851
N-(1,1-dioxothiolan-3-yl)-5-(3-methoxypropylamino)-N-methylpyrazine-2-carboxamide
CID 109276240
N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethylamino)-N-methylpyridine-2-carboxamide
CID 109205878
N-[3-(dimethylamino)propyl]-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxamide
CID 109154402

Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide (CID 109183862) is 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide is COCCNC(=O)c1ccc(N(C)C2CCS(=O)(=O)C2)cn1.
What is the InChIKey of 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide?
The InChIKey is JDALIEQUHWGYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-17(12-5-8-22(19,20)10-12)11-3-4-13(16-9-11)14(18)15-6-7-21-2/h3-4,9,12H,5-8,10H2,1-2H3,(H,15,18).
What are the key properties of 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide?
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109183862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).