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

C15H21N3O5S2 — CID 109237153

IUPACN-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxamide
SMILESCN(c1cncc(C(=O)NC2CCS(=O)(=O)C2)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H21N3O5S2/c1-18(13-3-5-25(22,23)10-13)14-6-11(7-16-8-14)15(19)17-12-2-4-24(20,21)9-12/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,19)
InChIKeyLOQHFTGVKLYZDZ-UHFFFAOYSA-N
MW387.48 g/mol
LogP-0.38
Rot. Bonds4

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

N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxamide (PubChem CID 109237153) has the molecular formula C15H21N3O5S2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxamide
PubChem CID109237153
Molecular FormulaC15H21N3O5S2
Molecular Weight387.48 g/mol
Exact Mass387.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxamide
SMILESCN(c1cncc(C(=O)NC2CCS(=O)(=O)C2)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H21N3O5S2/c1-18(13-3-5-25(22,23)10-13)14-6-11(7-16-8-14)15(19)17-12-2-4-24(20,21)9-12/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,19)
InChIKeyLOQHFTGVKLYZDZ-UHFFFAOYSA-N
XLogP-0.38
TPSA113.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-5-(dipropylamino)pyridine-3-carboxamide
CID 109237168
3-N-[2-(dimethylamino)ethyl]-5-N-(1,1-dioxothiolan-3-yl)pyridine-3,5-dicarboxamide
CID 109104054
1-[4-[5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231046
5-N-(1,1-dioxothiolan-3-yl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109106500
3-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 51240308
3-N-(1,1-dioxothiolan-3-yl)-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109106512
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234177
N-(1,1-dioxothiolan-3-yl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102518
N-(1,1-dioxothiolan-3-yl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109224965
5-(azepan-1-yl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109237170
N-(1,1-dioxothiolan-3-yl)-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109237163
5-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-3-amine
CID 104531579

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxamide (CID 109237153) is N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxamide is CN(c1cncc(C(=O)NC2CCS(=O)(=O)C2)c1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxamide?
The InChIKey is LOQHFTGVKLYZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5S2/c1-18(13-3-5-25(22,23)10-13)14-6-11(7-16-8-14)15(19)17-12-2-4-24(20,21)9-12/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,19).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxamide has a molecular weight of 387.48 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109237153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).