N-(1,1-dioxothian-4-yl)-6-(ethylamino)pyridine-2-carboxamide

C13H19N3O3S — CID 62238615

IUPACN-(1,1-dioxothian-4-yl)-6-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1cccc(C(=O)NC2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C13H19N3O3S/c1-2-14-12-5-3-4-11(16-12)13(17)15-10-6-8-20(18,19)9-7-10/h3-5,10H,2,6-9H2,1H3,(H,14,16)(H,15,17)
InChIKeyPZZYKCOGBGTQTK-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.82
Rot. Bonds4

About N-(1,1-dioxothian-4-yl)-6-(ethylamino)pyridine-2-carboxamide

N-(1,1-dioxothian-4-yl)-6-(ethylamino)pyridine-2-carboxamide (PubChem CID 62238615) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-6-(ethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-6-(ethylamino)pyridine-2-carboxamide
PubChem CID62238615
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-(1,1-dioxothian-4-yl)-6-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1cccc(C(=O)NC2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C13H19N3O3S/c1-2-14-12-5-3-4-11(16-12)13(17)15-10-6-8-20(18,19)9-7-10/h3-5,10H,2,6-9H2,1H3,(H,14,16)(H,15,17)
InChIKeyPZZYKCOGBGTQTK-UHFFFAOYSA-N
XLogP0.82
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothian-4-yl)-2-(ethylamino)pyridine-3-carboxamide
CID 62169938
6-N-butan-2-yl-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide
CID 109094612
6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 83024382
N-(1,1-dioxothian-4-yl)-4-ethylpyridine-2-carboxamide
CID 146125648
N-(4-amino-4-oxobutyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62239477
N-(1-methyl-6-oxopiperidin-3-yl)-6-(propylamino)pyridine-2-carboxamide
CID 64669855
6-N-(1,1-dioxothiolan-3-yl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109098728
N-cyclopropyl-6-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 117081828
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
6-ethyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 136545760
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-(ethylamino)pyridine-2-carboxamide
CID 105420344
6-N-(1,1-dioxothiolan-3-yl)-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097427

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-6-(ethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)-6-(ethylamino)pyridine-2-carboxamide (CID 62238615) is N-(1,1-dioxothian-4-yl)-6-(ethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-6-(ethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-6-(ethylamino)pyridine-2-carboxamide is CCNc1cccc(C(=O)NC2CCS(=O)(=O)CC2)n1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-6-(ethylamino)pyridine-2-carboxamide?
The InChIKey is PZZYKCOGBGTQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-2-14-12-5-3-4-11(16-12)13(17)15-10-6-8-20(18,19)9-7-10/h3-5,10H,2,6-9H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-(1,1-dioxothian-4-yl)-6-(ethylamino)pyridine-2-carboxamide?
N-(1,1-dioxothian-4-yl)-6-(ethylamino)pyridine-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-6-(ethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62238615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).