N-(1,1-dioxothiolan-3-yl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide

C15H19N3O4S — CID 109102518

IUPACN-(1,1-dioxothiolan-3-yl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cncc(C(=O)N2CCCC2)c1
InChIInChI=1S/C15H19N3O4S/c19-14(17-13-3-6-23(21,22)10-13)11-7-12(9-16-8-11)15(20)18-4-1-2-5-18/h7-9,13H,1-6,10H2,(H,17,19)
InChIKeyPTPFGLFPGRDFTE-UHFFFAOYSA-N
MW337.40 g/mol
LogP0.23
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 109102518) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
PubChem CID109102518
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cncc(C(=O)N2CCCC2)c1
InChIInChI=1S/C15H19N3O4S/c19-14(17-13-3-6-23(21,22)10-13)11-7-12(9-16-8-11)15(20)18-4-1-2-5-18/h7-9,13H,1-6,10H2,(H,17,19)
InChIKeyPTPFGLFPGRDFTE-UHFFFAOYSA-N
XLogP0.23
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103755
5-(azepan-1-yl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109237170
5-(azepane-1-carbonyl)-N-cyclopentylpyridine-3-carboxamide
CID 109102737
N-cyclohexyl-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102478
N-cycloheptyl-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102544
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109106503
N-(1,1-dioxothiolan-3-yl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081063
5-(2,3-dihydroindole-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109106502
N-cycloheptyl-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104440
3-N-[2-(dimethylamino)ethyl]-5-N-(1,1-dioxothiolan-3-yl)pyridine-3,5-dicarboxamide
CID 109104054
3-N-(2-chlorophenyl)-5-N-(1,1-dioxothiolan-3-yl)pyridine-3,5-dicarboxamide
CID 109106515
5-N-(1,1-dioxothiolan-3-yl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109106500

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide (CID 109102518) is N-(1,1-dioxothiolan-3-yl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide is O=C(NC1CCS(=O)(=O)C1)c1cncc(C(=O)N2CCCC2)c1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is PTPFGLFPGRDFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c19-14(17-13-3-6-23(21,22)10-13)11-7-12(9-16-8-11)15(20)18-4-1-2-5-18/h7-9,13H,1-6,10H2,(H,17,19).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 109102518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).