N-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide

C16H24N4O3S — CID 109186783

IUPACN-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCCN1CCN(c2ccc(C(=O)NC3CCS(=O)(=O)C3)nc2)CC1
InChIInChI=1S/C16H24N4O3S/c1-2-19-6-8-20(9-7-19)14-3-4-15(17-11-14)16(21)18-13-5-10-24(22,23)12-13/h3-4,11,13H,2,5-10,12H2,1H3,(H,18,21)
InChIKeyAOMHUQXGPKYHOE-UHFFFAOYSA-N
MW352.46 g/mol
LogP0.14
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide

N-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 109186783) 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-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID109186783
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC NameN-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCCN1CCN(c2ccc(C(=O)NC3CCS(=O)(=O)C3)nc2)CC1
InChIInChI=1S/C16H24N4O3S/c1-2-19-6-8-20(9-7-19)14-3-4-15(17-11-14)16(21)18-13-5-10-24(22,23)12-13/h3-4,11,13H,2,5-10,12H2,1H3,(H,18,21)
InChIKeyAOMHUQXGPKYHOE-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

N-(1,1-dioxothiolan-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302398
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)pyridine-2-carboxamide
CID 109193035
N-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230591
N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109193031
5-(4-benzylpiperazin-1-yl)-N-cyclopentylpyridine-2-carboxamide
CID 109182201
N-(4-ethylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186830
N-cyclopropyl-5-morpholin-4-ylpyridine-2-carboxamide
CID 109179845
5-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide
CID 109182978
N-(1,1-dioxothian-3-yl)-5-(propylamino)pyridine-2-carboxamide
CID 104641420
5-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109186840
5-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109186778
N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109182203

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide (CID 109186783) is N-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide is CCN1CCN(c2ccc(C(=O)NC3CCS(=O)(=O)C3)nc2)CC1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is AOMHUQXGPKYHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-2-19-6-8-20(9-7-19)14-3-4-15(17-11-14)16(21)18-13-5-10-24(22,23)12-13/h3-4,11,13H,2,5-10,12H2,1H3,(H,18,21).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-2-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-2-carboxamide is sourced from PubChem (CID 109186783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).