N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide

C20H25N5O3S — CID 46979864

IUPACN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)ccn2)CC1
InChIInChI=1S/C20H25N5O3S/c1-23-10-12-24(13-11-23)19-15-16(7-8-21-19)20(26)22-17-3-5-18(6-4-17)25-9-2-14-29(25,27)28/h3-8,15H,2,9-14H2,1H3,(H,22,26)
InChIKeyCAVRZROIQWFSRL-UHFFFAOYSA-N
MW415.52 g/mol
LogP1.63
Rot. Bonds4

About N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 46979864) has the molecular formula C20H25N5O3S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
PubChem CID46979864
Molecular FormulaC20H25N5O3S
Molecular Weight415.52 g/mol
Exact Mass415.17
IUPAC NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)ccn2)CC1
InChIInChI=1S/C20H25N5O3S/c1-23-10-12-24(13-11-23)19-15-16(7-8-21-19)20(26)22-17-3-5-18(6-4-17)25-9-2-14-29(25,27)28/h3-8,15H,2,9-14H2,1H3,(H,22,26)
InChIKeyCAVRZROIQWFSRL-UHFFFAOYSA-N
XLogP1.63
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide with MolForge

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Related Compounds

2-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166232
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
N-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride
CID 119516349
4-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 55669414
2-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109168800
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide
CID 46979712
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide
CID 7424221
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168617
N-(4-hydroxy-2-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 84573364
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pyrazol-1-ylphenyl)benzamide
CID 78866605
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46581814

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (CID 46979864) is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is CN1CCN(c2cc(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)ccn2)CC1.
What is the InChIKey of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The InChIKey is CAVRZROIQWFSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3S/c1-23-10-12-24(13-11-23)19-15-16(7-8-21-19)20(26)22-17-3-5-18(6-4-17)25-9-2-14-29(25,27)28/h3-8,15H,2,9-14H2,1H3,(H,22,26).
What are the key properties of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 46979864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).