N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-6-methylpyridine-3-carboxamide

C12H17N3O3S — CID 49067239

IUPACN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCN2CCCS2(=O)=O)cn1
InChIInChI=1S/C12H17N3O3S/c1-10-3-4-11(9-14-10)12(16)13-5-7-15-6-2-8-19(15,17)18/h3-4,9H,2,5-8H2,1H3,(H,13,16)
InChIKeyLRMOSYHKDOXLNC-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.16
Rot. Bonds4

About N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-6-methylpyridine-3-carboxamide

N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-6-methylpyridine-3-carboxamide (PubChem CID 49067239) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-6-methylpyridine-3-carboxamide
PubChem CID49067239
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCN2CCCS2(=O)=O)cn1
InChIInChI=1S/C12H17N3O3S/c1-10-3-4-11(9-14-10)12(16)13-5-7-15-6-2-8-19(15,17)18/h3-4,9H,2,5-8H2,1H3,(H,13,16)
InChIKeyLRMOSYHKDOXLNC-UHFFFAOYSA-N
XLogP0.16
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 49066048
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-4-fluorobenzamide
CID 110720894
6-methyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 43600318
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-hydroxy-5-methylbenzamide
CID 49090758
3-(dimethylamino)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]benzamide
CID 49090745
6-methyl-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 62657976
N-(3-hydroxypropyl)-6-methylpyridine-3-carboxamide
CID 43417610
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 60604982
N-(1,4-dimethylpiperidin-4-yl)-6-methylpyridine-3-carboxamide
CID 134434500
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-6-methylpyridine-3-carboxamide
CID 115362723
N-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]-2-oxoethyl]-3,5-difluorobenzamide
CID 49090622

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-6-methylpyridine-3-carboxamide (CID 49067239) is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCCN2CCCS2(=O)=O)cn1.
What is the InChIKey of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-6-methylpyridine-3-carboxamide?
The InChIKey is LRMOSYHKDOXLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-10-3-4-11(9-14-10)12(16)13-5-7-15-6-2-8-19(15,17)18/h3-4,9H,2,5-8H2,1H3,(H,13,16).
What are the key properties of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-6-methylpyridine-3-carboxamide?
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-6-methylpyridine-3-carboxamide has a molecular weight of 283.35 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 49067239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).