N-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide

C16H24N4O3S — CID 109230591

IUPACN-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCN1CCN(c2cncc(C(=O)NC3CCS(=O)(=O)C3)c2)CC1
InChIInChI=1S/C16H24N4O3S/c1-2-19-4-6-20(7-5-19)15-9-13(10-17-11-15)16(21)18-14-3-8-24(22,23)12-14/h9-11,14H,2-8,12H2,1H3,(H,18,21)
InChIKeyYVDRMNAFIWSHOQ-UHFFFAOYSA-N
MW352.46 g/mol
LogP0.14
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 109230591) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID109230591
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC NameN-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCN1CCN(c2cncc(C(=O)NC3CCS(=O)(=O)C3)c2)CC1
InChIInChI=1S/C16H24N4O3S/c1-2-19-4-6-20(7-5-19)15-9-13(10-17-11-15)16(21)18-14-3-8-24(22,23)12-14/h9-11,14H,2-8,12H2,1H3,(H,18,21)
InChIKeyYVDRMNAFIWSHOQ-UHFFFAOYSA-N
XLogP0.14
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(azepan-1-yl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109237170
N-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186783
N-[2-(dimethylamino)ethyl]-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109229091
5-(4-ethylpiperazin-1-yl)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109224744
N-(1,1-dioxothiolan-3-yl)-5-(dipropylamino)pyridine-3-carboxamide
CID 109237168
N-(1,1-dioxothiolan-3-yl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102518
3-N-[2-(dimethylamino)ethyl]-5-N-(1,1-dioxothiolan-3-yl)pyridine-3,5-dicarboxamide
CID 109104054
N-(1,1-dioxothiolan-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302398
N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxamide
CID 109237153
N-(1,1-dioxothiolan-3-yl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109224965
N-(1,1-dioxothiolan-3-yl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103755
N-(1,1-dioxothiolan-3-yl)-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109237163

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide (CID 109230591) is N-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide is CCN1CCN(c2cncc(C(=O)NC3CCS(=O)(=O)C3)c2)CC1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is YVDRMNAFIWSHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-2-19-4-6-20(7-5-19)15-9-13(10-17-11-15)16(21)18-14-3-8-24(22,23)12-14/h9-11,14H,2-8,12H2,1H3,(H,18,21).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109230591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).