N-[2-(2-methoxyanilino)ethyl]-6-(quinolin-8-ylsulfonylamino)pyridine-3-carboxamide

C24H23N5O4S — CID 129042497

IUPACN-[2-(2-methoxyanilino)ethyl]-6-(quinolin-8-ylsulfonylamino)pyridine-3-carboxamide
SMILESCOc1ccccc1NCCNC(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)nc1
InChIInChI=1S/C24H23N5O4S/c1-33-20-9-3-2-8-19(20)25-14-15-27-24(30)18-11-12-22(28-16-18)29-34(31,32)21-10-4-6-17-7-5-13-26-23(17)21/h2-13,16,25H,14-15H2,1H3,(H,27,30)(H,28,29)
InChIKeyJIBAHNGADABFLT-UHFFFAOYSA-N
MW477.55 g/mol
LogP3.28
Rot. Bonds9

About N-[2-(2-methoxyanilino)ethyl]-6-(quinolin-8-ylsulfonylamino)pyridine-3-carboxamide

N-[2-(2-methoxyanilino)ethyl]-6-(quinolin-8-ylsulfonylamino)pyridine-3-carboxamide (PubChem CID 129042497) has the molecular formula C24H23N5O4S and a molecular weight of 477.55 g/mol. Its IUPAC name is N-[2-(2-methoxyanilino)ethyl]-6-(quinolin-8-ylsulfonylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyanilino)ethyl]-6-(quinolin-8-ylsulfonylamino)pyridine-3-carboxamide
PubChem CID129042497
Molecular FormulaC24H23N5O4S
Molecular Weight477.55 g/mol
Exact Mass477.15
IUPAC NameN-[2-(2-methoxyanilino)ethyl]-6-(quinolin-8-ylsulfonylamino)pyridine-3-carboxamide
SMILESCOc1ccccc1NCCNC(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)nc1
InChIInChI=1S/C24H23N5O4S/c1-33-20-9-3-2-8-19(20)25-14-15-27-24(30)18-11-12-22(28-16-18)29-34(31,32)21-10-4-6-17-7-5-13-26-23(17)21/h2-13,16,25H,14-15H2,1H3,(H,27,30)(H,28,29)
InChIKeyJIBAHNGADABFLT-UHFFFAOYSA-N
XLogP3.28
TPSA122.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dimethoxyphenyl)quinoline-8-sulfonamide
CID 3866922
4-[(2-methoxyphenyl)sulfamoyl]-N-quinolin-8-ylbenzamide
CID 31321858
2-methoxy-4-(quinolin-8-ylsulfonylamino)benzoic acid
CID 118468092
N-(2-methoxyphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 20880599
dimethyl 2-(quinolin-8-ylsulfonylamino)benzene-1,4-dicarboxylate
CID 4198827
4-methoxy-3-(quinolin-8-ylsulfamoyl)benzoic acid
CID 24502180
2-methoxy-N-[3-oxo-3-(quinolin-8-ylamino)propyl]benzamide
CID 38266767
N-[4-(2-methoxyphenoxy)but-2-ynyl]quinoline-8-sulfonamide
CID 71802969
N-(2-hydroxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide
CID 5045370
N-(2-methoxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109269429
(2-methoxyphenyl) quinoline-8-sulfonate
CID 15944591
6-(2-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109158959

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyanilino)ethyl]-6-(quinolin-8-ylsulfonylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyanilino)ethyl]-6-(quinolin-8-ylsulfonylamino)pyridine-3-carboxamide (CID 129042497) is N-[2-(2-methoxyanilino)ethyl]-6-(quinolin-8-ylsulfonylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyanilino)ethyl]-6-(quinolin-8-ylsulfonylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyanilino)ethyl]-6-(quinolin-8-ylsulfonylamino)pyridine-3-carboxamide is COc1ccccc1NCCNC(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)nc1.
What is the InChIKey of N-[2-(2-methoxyanilino)ethyl]-6-(quinolin-8-ylsulfonylamino)pyridine-3-carboxamide?
The InChIKey is JIBAHNGADABFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S/c1-33-20-9-3-2-8-19(20)25-14-15-27-24(30)18-11-12-22(28-16-18)29-34(31,32)21-10-4-6-17-7-5-13-26-23(17)21/h2-13,16,25H,14-15H2,1H3,(H,27,30)(H,28,29).
What are the key properties of N-[2-(2-methoxyanilino)ethyl]-6-(quinolin-8-ylsulfonylamino)pyridine-3-carboxamide?
N-[2-(2-methoxyanilino)ethyl]-6-(quinolin-8-ylsulfonylamino)pyridine-3-carboxamide has a molecular weight of 477.55 g/mol, XLogP of 3.28, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyanilino)ethyl]-6-(quinolin-8-ylsulfonylamino)pyridine-3-carboxamide is sourced from PubChem (CID 129042497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).