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

C16H25N3O3S — CID 109237168

IUPACN-(1,1-dioxothiolan-3-yl)-5-(dipropylamino)pyridine-3-carboxamide
SMILESCCCN(CCC)c1cncc(C(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C16H25N3O3S/c1-3-6-19(7-4-2)15-9-13(10-17-11-15)16(20)18-14-5-8-23(21,22)12-14/h9-11,14H,3-8,12H2,1-2H3,(H,18,20)
InChIKeyILUUDQSQRFLYEA-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.62
Rot. Bonds7

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

N-(1,1-dioxothiolan-3-yl)-5-(dipropylamino)pyridine-3-carboxamide (PubChem CID 109237168) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-5-(dipropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-5-(dipropylamino)pyridine-3-carboxamide
PubChem CID109237168
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-(1,1-dioxothiolan-3-yl)-5-(dipropylamino)pyridine-3-carboxamide
SMILESCCCN(CCC)c1cncc(C(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C16H25N3O3S/c1-3-6-19(7-4-2)15-9-13(10-17-11-15)16(20)18-14-5-8-23(21,22)12-14/h9-11,14H,3-8,12H2,1-2H3,(H,18,20)
InChIKeyILUUDQSQRFLYEA-UHFFFAOYSA-N
XLogP1.62
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxamide
CID 109237153
N-cyclohexyl-5-(dipropylamino)pyridine-3-carboxamide
CID 109226706
3-N-[2-(dimethylamino)ethyl]-5-N-(1,1-dioxothiolan-3-yl)pyridine-3,5-dicarboxamide
CID 109104054
3-N-(1,1-dioxothiolan-3-yl)-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109106512
N-(1,1-dioxothiolan-3-yl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109224965
N-(1,1-dioxothiolan-3-yl)-6-(dipropylamino)pyrimidine-4-carboxamide
CID 109351820
N-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230591
N-(1,1-dioxothiolan-3-yl)-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109237163
N-(1,1-dioxothiolan-3-yl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109237184
N-cyclopentyl-5-(diethylamino)pyridine-3-carboxamide
CID 109225943
5-N-(1,1-dioxothiolan-3-yl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109106500
N-(1,1-dioxothiolan-3-yl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102518

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-(dipropylamino)pyridine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-(dipropylamino)pyridine-3-carboxamide (CID 109237168) is N-(1,1-dioxothiolan-3-yl)-5-(dipropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-5-(dipropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-5-(dipropylamino)pyridine-3-carboxamide is CCCN(CCC)c1cncc(C(=O)NC2CCS(=O)(=O)C2)c1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-5-(dipropylamino)pyridine-3-carboxamide?
The InChIKey is ILUUDQSQRFLYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-3-6-19(7-4-2)15-9-13(10-17-11-15)16(20)18-14-5-8-23(21,22)12-14/h9-11,14H,3-8,12H2,1-2H3,(H,18,20).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-5-(dipropylamino)pyridine-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-5-(dipropylamino)pyridine-3-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 1.62, 7 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-(dipropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109237168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).