N-(1,1-dioxothian-4-yl)-2-(ethylamino)pyridine-3-carboxamide

C13H19N3O3S — CID 62169938

IUPACN-(1,1-dioxothian-4-yl)-2-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ncccc1C(=O)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C13H19N3O3S/c1-2-14-12-11(4-3-7-15-12)13(17)16-10-5-8-20(18,19)9-6-10/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyBRAXMVMWZONTBX-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.82
Rot. Bonds4

About N-(1,1-dioxothian-4-yl)-2-(ethylamino)pyridine-3-carboxamide

N-(1,1-dioxothian-4-yl)-2-(ethylamino)pyridine-3-carboxamide (PubChem CID 62169938) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-2-(ethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-2-(ethylamino)pyridine-3-carboxamide
PubChem CID62169938
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-(1,1-dioxothian-4-yl)-2-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ncccc1C(=O)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C13H19N3O3S/c1-2-14-12-11(4-3-7-15-12)13(17)16-10-5-8-20(18,19)9-6-10/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyBRAXMVMWZONTBX-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-cyclopropylpyrrolidin-3-yl)-2-(ethylamino)pyridine-3-carboxamide
CID 62173888
N-(2,2-dimethylcyclohexyl)-2-(ethylamino)pyridine-3-carboxamide
CID 79872423
2-(ethylamino)-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide
CID 82737205
N-(dicyclopropylmethyl)-2-(ethylamino)pyridine-3-carboxamide
CID 62178341
N-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-carboxamide
CID 63918472
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(ethylamino)pyridine-3-carboxamide
CID 62167440
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(ethylamino)pyridine-3-carboxamide
CID 62978746
5-bromo-N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)pyridine-3-carboxamide
CID 62186912
2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide
CID 6595863
N-(1,1-dioxothian-4-yl)-6-(ethylamino)pyridine-2-carboxamide
CID 62238615
methyl 2-[(1,1-dioxothian-4-yl)amino]pyridine-3-carboxylate
CID 62000677
2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 62181266

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-2-(ethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)-2-(ethylamino)pyridine-3-carboxamide (CID 62169938) is N-(1,1-dioxothian-4-yl)-2-(ethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-2-(ethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-2-(ethylamino)pyridine-3-carboxamide is CCNc1ncccc1C(=O)NC1CCS(=O)(=O)CC1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-2-(ethylamino)pyridine-3-carboxamide?
The InChIKey is BRAXMVMWZONTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-2-14-12-11(4-3-7-15-12)13(17)16-10-5-8-20(18,19)9-6-10/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,14,15)(H,16,17).
What are the key properties of N-(1,1-dioxothian-4-yl)-2-(ethylamino)pyridine-3-carboxamide?
N-(1,1-dioxothian-4-yl)-2-(ethylamino)pyridine-3-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)-2-(ethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62169938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).