N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C18H22N4O3S — CID 55692837

IUPACN-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCN(C)c1ncccc1CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C18H22N4O3S/c1-21(2)17-15(5-3-10-19-17)13-20-18(23)14-6-8-16(9-7-14)22-11-4-12-26(22,24)25/h3,5-10H,4,11-13H2,1-2H3,(H,20,23)
InChIKeyRRFHPYGXDHLCCP-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.62
Rot. Bonds5

About N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 55692837) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID55692837
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCN(C)c1ncccc1CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C18H22N4O3S/c1-21(2)17-15(5-3-10-19-17)13-20-18(23)14-6-8-16(9-7-14)22-11-4-12-26(22,24)25/h3,5-10H,4,11-13H2,1-2H3,(H,20,23)
InChIKeyRRFHPYGXDHLCCP-UHFFFAOYSA-N
XLogP1.62
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9398987
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylbenzamide
CID 51246187
2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]pyridine-3-carboxamide
CID 110303537
N-[2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethyl]pyridine-3-carboxamide
CID 55690257
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55692569
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzamide
CID 55692811
N-[(4-chlorophenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 20937866
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-pyridin-2-ylbenzamide
CID 18107159
4-(cyclopropylsulfamoyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzamide
CID 55692896
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 9488235
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
CID 55715963
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(methylamino)propyl]benzamide
CID 120829578

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 55692837) is N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is CN(C)c1ncccc1CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is RRFHPYGXDHLCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-21(2)17-15(5-3-10-19-17)13-20-18(23)14-6-8-16(9-7-14)22-11-4-12-26(22,24)25/h3,5-10H,4,11-13H2,1-2H3,(H,20,23).
What are the key properties of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 374.47 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 55692837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).