N-(1,1-dioxothian-4-yl)-4-ethylpyridine-2-carboxamide

C13H18N2O3S — CID 146125648

IUPACN-(1,1-dioxothian-4-yl)-4-ethylpyridine-2-carboxamide
SMILESCCc1ccnc(C(=O)NC2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C13H18N2O3S/c1-2-10-3-6-14-12(9-10)13(16)15-11-4-7-19(17,18)8-5-11/h3,6,9,11H,2,4-5,7-8H2,1H3,(H,15,16)
InChIKeyCSHDLFFEUZVXOS-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.95
Rot. Bonds3

About N-(1,1-dioxothian-4-yl)-4-ethylpyridine-2-carboxamide

N-(1,1-dioxothian-4-yl)-4-ethylpyridine-2-carboxamide (PubChem CID 146125648) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-4-ethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-4-ethylpyridine-2-carboxamide
PubChem CID146125648
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-(1,1-dioxothian-4-yl)-4-ethylpyridine-2-carboxamide
SMILESCCc1ccnc(C(=O)NC2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C13H18N2O3S/c1-2-10-3-6-14-12(9-10)13(16)15-11-4-7-19(17,18)8-5-11/h3,6,9,11H,2,4-5,7-8H2,1H3,(H,15,16)
InChIKeyCSHDLFFEUZVXOS-UHFFFAOYSA-N
XLogP0.95
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(1,1-dioxothiolan-3-yl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077860
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-ethylpyridine-2-carboxamide
CID 146125687
N-cyclopropyl-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide
CID 109201729
4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyridine-2-carboxamide
CID 132970516
N-(1,1-dioxothiolan-3-yl)-4-(3-methylbutylamino)pyridine-2-carboxamide
CID 109214826
N-(1,1-dioxothian-3-yl)-4-(ethylamino)pyridine-2-carboxamide
CID 63917314
N-cyclopropyl-4-(diethylamino)pyridine-2-carboxamide
CID 109201751
2-N-[3-(dimethylamino)propyl]-4-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
CID 109084031
N-cyclohexyl-4-(ethylamino)pyridine-2-carboxamide
CID 62171612
N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 17398664
N-(1,1-dioxothian-4-yl)-6-(ethylamino)pyridine-2-carboxamide
CID 62238615
N-[(3S)-1,1-dioxothiolan-3-yl]-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide
CID 95741077

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-4-ethylpyridine-2-carboxamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)-4-ethylpyridine-2-carboxamide (CID 146125648) is N-(1,1-dioxothian-4-yl)-4-ethylpyridine-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-4-ethylpyridine-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-4-ethylpyridine-2-carboxamide is CCc1ccnc(C(=O)NC2CCS(=O)(=O)CC2)c1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-4-ethylpyridine-2-carboxamide?
The InChIKey is CSHDLFFEUZVXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-10-3-6-14-12(9-10)13(16)15-11-4-7-19(17,18)8-5-11/h3,6,9,11H,2,4-5,7-8H2,1H3,(H,15,16).
What are the key properties of N-(1,1-dioxothian-4-yl)-4-ethylpyridine-2-carboxamide?
N-(1,1-dioxothian-4-yl)-4-ethylpyridine-2-carboxamide has a molecular weight of 282.36 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-4-ethylpyridine-2-carboxamide is sourced from PubChem (CID 146125648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).