N-tert-butyl-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-3-carboxamide

C16H25N3O3S — CID 109238168

IUPACN-tert-butyl-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-3-carboxamide
SMILESCCN(c1cncc(C(=O)NC(C)(C)C)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H25N3O3S/c1-5-19(13-6-7-23(21,22)11-13)14-8-12(9-17-10-14)15(20)18-16(2,3)4/h8-10,13H,5-7,11H2,1-4H3,(H,18,20)
InChIKeyASJOSHVSQNWQMV-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.62
Rot. Bonds4

About N-tert-butyl-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-3-carboxamide

N-tert-butyl-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-3-carboxamide (PubChem CID 109238168) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-tert-butyl-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-3-carboxamide
PubChem CID109238168
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-tert-butyl-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-3-carboxamide
SMILESCCN(c1cncc(C(=O)NC(C)(C)C)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H25N3O3S/c1-5-19(13-6-7-23(21,22)11-13)14-8-12(9-17-10-14)15(20)18-16(2,3)4/h8-10,13H,5-7,11H2,1-4H3,(H,18,20)
InChIKeyASJOSHVSQNWQMV-UHFFFAOYSA-N
XLogP1.62
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

3-N-tert-butyl-5-N-(1,1-dioxothiolan-3-yl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109106531
N-(2,4-difluorophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-3-carboxamide
CID 109238202
N-tert-butyl-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyrimidine-4-carboxamide
CID 109352639
[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109238203
N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxamide
CID 109237153
tert-butyl N-[4-[(1,1-dioxothiolan-3-yl)-ethylamino]phenyl]carbamate
CID 112984308
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-hydroxypyridine-3-carboxamide
CID 63859215
N-(1,1-dioxothiolan-3-yl)-5-(dipropylamino)pyridine-3-carboxamide
CID 109237168
4-N-tert-butyl-2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,4-dicarboxamide
CID 109088408
2-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259116
N-tert-butyl-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxamide
CID 109122927
2-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-prop-2-enylpyrimidine-5-carboxamide
CID 109247709

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-3-carboxamide (CID 109238168) is N-tert-butyl-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-3-carboxamide is CCN(c1cncc(C(=O)NC(C)(C)C)c1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-tert-butyl-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-3-carboxamide?
The InChIKey is ASJOSHVSQNWQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-5-19(13-6-7-23(21,22)11-13)14-8-12(9-17-10-14)15(20)18-16(2,3)4/h8-10,13H,5-7,11H2,1-4H3,(H,18,20).
What are the key properties of N-tert-butyl-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-3-carboxamide?
N-tert-butyl-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-3-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109238168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).