N-(2-aminophenyl)-5-[[2-(4-methylpiperazin-1-yl)ethyl-(1,3-thiazol-2-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide

C24H30N8O2S — CID 59225156

IUPACN-(2-aminophenyl)-5-[[2-(4-methylpiperazin-1-yl)ethyl-(1,3-thiazol-2-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
SMILESCN1CCN(CCN(Cc2ccc(C(=O)Nc3ccccc3N)nc2)C(=O)Nc2nccs2)CC1
InChIInChI=1S/C24H30N8O2S/c1-30-9-11-31(12-10-30)13-14-32(24(34)29-23-26-8-15-35-23)17-18-6-7-21(27-16-18)22(33)28-20-5-3-2-4-19(20)25/h2-8,15-16H,9-14,17,25H2,1H3,(H,28,33)(H,26,29,34)
InChIKeyYRSJIQKYWCELEE-UHFFFAOYSA-N
MW494.63 g/mol
LogP2.65
Rot. Bonds8

About N-(2-aminophenyl)-5-[[2-(4-methylpiperazin-1-yl)ethyl-(1,3-thiazol-2-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide

N-(2-aminophenyl)-5-[[2-(4-methylpiperazin-1-yl)ethyl-(1,3-thiazol-2-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide (PubChem CID 59225156) has the molecular formula C24H30N8O2S and a molecular weight of 494.63 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-[[2-(4-methylpiperazin-1-yl)ethyl-(1,3-thiazol-2-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-[[2-(4-methylpiperazin-1-yl)ethyl-(1,3-thiazol-2-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
PubChem CID59225156
Molecular FormulaC24H30N8O2S
Molecular Weight494.63 g/mol
Exact Mass494.22
IUPAC NameN-(2-aminophenyl)-5-[[2-(4-methylpiperazin-1-yl)ethyl-(1,3-thiazol-2-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
SMILESCN1CCN(CCN(Cc2ccc(C(=O)Nc3ccccc3N)nc2)C(=O)Nc2nccs2)CC1
InChIInChI=1S/C24H30N8O2S/c1-30-9-11-31(12-10-30)13-14-32(24(34)29-23-26-8-15-35-23)17-18-6-7-21(27-16-18)22(33)28-20-5-3-2-4-19(20)25/h2-8,15-16H,9-14,17,25H2,1H3,(H,28,33)(H,26,29,34)
InChIKeyYRSJIQKYWCELEE-UHFFFAOYSA-N
XLogP2.65
TPSA119.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.63
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-[[2-(4-methylpiperazin-1-yl)ethyl-(1,3-thiazol-2-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-[[2-(4-methylpiperazin-1-yl)ethyl-(1,3-thiazol-2-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide (CID 59225156) is N-(2-aminophenyl)-5-[[2-(4-methylpiperazin-1-yl)ethyl-(1,3-thiazol-2-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-[[2-(4-methylpiperazin-1-yl)ethyl-(1,3-thiazol-2-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-[[2-(4-methylpiperazin-1-yl)ethyl-(1,3-thiazol-2-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide is CN1CCN(CCN(Cc2ccc(C(=O)Nc3ccccc3N)nc2)C(=O)Nc2nccs2)CC1.
What is the InChIKey of N-(2-aminophenyl)-5-[[2-(4-methylpiperazin-1-yl)ethyl-(1,3-thiazol-2-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide?
The InChIKey is YRSJIQKYWCELEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O2S/c1-30-9-11-31(12-10-30)13-14-32(24(34)29-23-26-8-15-35-23)17-18-6-7-21(27-16-18)22(33)28-20-5-3-2-4-19(20)25/h2-8,15-16H,9-14,17,25H2,1H3,(H,28,33)(H,26,29,34).
What are the key properties of N-(2-aminophenyl)-5-[[2-(4-methylpiperazin-1-yl)ethyl-(1,3-thiazol-2-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide?
N-(2-aminophenyl)-5-[[2-(4-methylpiperazin-1-yl)ethyl-(1,3-thiazol-2-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide has a molecular weight of 494.63 g/mol, XLogP of 2.65, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-[[2-(4-methylpiperazin-1-yl)ethyl-(1,3-thiazol-2-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 59225156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).