6-[[4-[[2-(4-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]methyl]-2-pyridinyl]amino]pyridine-3-carboxylic acid

C24H23N5O3S — CID 134133208

IUPAC6-[[4-[[2-(4-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]methyl]-2-pyridinyl]amino]pyridine-3-carboxylic acid
SMILESCCc1ccc(/N=C2/SC(Cc3ccnc(Nc4ccc(C(=O)O)cn4)c3)C(=O)N2C)cc1
InChIInChI=1S/C24H23N5O3S/c1-3-15-4-7-18(8-5-15)27-24-29(2)22(30)19(33-24)12-16-10-11-25-21(13-16)28-20-9-6-17(14-26-20)23(31)32/h4-11,13-14,19H,3,12H2,1-2H3,(H,31,32)(H,25,26,28)/b27-24+
InChIKeyFMSSTDMQBGTWMW-SOYKGTTHSA-N
MW461.55 g/mol
LogP4.28
Rot. Bonds7

About 6-[[4-[[2-(4-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]methyl]-2-pyridinyl]amino]pyridine-3-carboxylic acid

6-[[4-[[2-(4-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]methyl]-2-pyridinyl]amino]pyridine-3-carboxylic acid (PubChem CID 134133208) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is 6-[[4-[[2-(4-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]methyl]-2-pyridinyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[4-[[2-(4-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]methyl]-2-pyridinyl]amino]pyridine-3-carboxylic acid
PubChem CID134133208
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC Name6-[[4-[[2-(4-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]methyl]-2-pyridinyl]amino]pyridine-3-carboxylic acid
SMILESCCc1ccc(/N=C2/SC(Cc3ccnc(Nc4ccc(C(=O)O)cn4)c3)C(=O)N2C)cc1
InChIInChI=1S/C24H23N5O3S/c1-3-15-4-7-18(8-5-15)27-24-29(2)22(30)19(33-24)12-16-10-11-25-21(13-16)28-20-9-6-17(14-26-20)23(31)32/h4-11,13-14,19H,3,12H2,1-2H3,(H,31,32)(H,25,26,28)/b27-24+
InChIKeyFMSSTDMQBGTWMW-SOYKGTTHSA-N
XLogP4.28
TPSA107.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Aurora A inhibitor-9
CID 134140427
5-{2-[(4-Piperazin-1-ylpyridin-2-yl)amino]-1,3-thiazol-5-yl}nicotinic acid
CID 15979633
5-[6-(Ethylcarbamoylamino)-4-phenyl-3-pyridinyl]pyridine-3-carboxylic acid
CID 59208494
4-{[4-Amino-5-(Pyridin-3-Ylcarbonyl)-1,3-Thiazol-2-Yl]amino}benzoic Acid
CID 73347326
3-Pyridinecarboxylic acid, 2-[[4-(1-methylethyl)phenyl]amino]-
CID 1174129
4-[[4-[(Z)-[2-(4-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-pyridinyl]amino]benzoic acid
CID 134135028
(5Z)-2-(4-ethylphenyl)imino-5-[[2-[4-(hydroxymethyl)anilino]-4-pyridinyl]methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 134153592
5-[[4-[(Z)-[2-(4-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-pyridinyl]amino]-5-oxopentanoic acid
CID 134157863
Nicotinic acid, 2-(4-biphenylylamino)-
CID 214598
2-(4-Phenylpiperazin-1-yl)-5-(thiophene-2-carbonylamino)pyridine-3-carboxylic acid
CID 16033174
4-[[4-Methyl-1-[(6-piperidin-1-yl-2-pyridinyl)methyl]pyrrole-2-carbonyl]amino]benzoic acid
CID 142463515
Nicotinic acid, 2-(p-aminobenzamido)-
CID 215937

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[[2-(4-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]methyl]-2-pyridinyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[4-[[2-(4-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]methyl]-2-pyridinyl]amino]pyridine-3-carboxylic acid (CID 134133208) is 6-[[4-[[2-(4-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]methyl]-2-pyridinyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[4-[[2-(4-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]methyl]-2-pyridinyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[4-[[2-(4-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]methyl]-2-pyridinyl]amino]pyridine-3-carboxylic acid is CCc1ccc(/N=C2/SC(Cc3ccnc(Nc4ccc(C(=O)O)cn4)c3)C(=O)N2C)cc1.
What is the InChIKey of 6-[[4-[[2-(4-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]methyl]-2-pyridinyl]amino]pyridine-3-carboxylic acid?
The InChIKey is FMSSTDMQBGTWMW-SOYKGTTHSA-N. The full InChI is InChI=1S/C24H23N5O3S/c1-3-15-4-7-18(8-5-15)27-24-29(2)22(30)19(33-24)12-16-10-11-25-21(13-16)28-20-9-6-17(14-26-20)23(31)32/h4-11,13-14,19H,3,12H2,1-2H3,(H,31,32)(H,25,26,28)/b27-24+.
What are the key properties of 6-[[4-[[2-(4-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]methyl]-2-pyridinyl]amino]pyridine-3-carboxylic acid?
6-[[4-[[2-(4-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]methyl]-2-pyridinyl]amino]pyridine-3-carboxylic acid has a molecular weight of 461.55 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[[2-(4-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]methyl]-2-pyridinyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 134133208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).