1-[4-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]phenyl]sulfonyl-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide

C24H32N4O3S — CID 157051270

IUPAC1-[4-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]phenyl]sulfonyl-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCNC(=O)C1=CCN(S(=O)(=O)c2ccc(-c3ccc(CNCCN(C)C)cc3)cc2)CC1
InChIInChI=1S/C24H32N4O3S/c1-25-24(29)22-12-15-28(16-13-22)32(30,31)23-10-8-21(9-11-23)20-6-4-19(5-7-20)18-26-14-17-27(2)3/h4-12,26H,13-18H2,1-3H3,(H,25,29)
InChIKeyVPSVIMZTBZUWBI-UHFFFAOYSA-N
MW456.61 g/mol
LogP2.07
Rot. Bonds9

About 1-[4-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]phenyl]sulfonyl-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide

1-[4-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]phenyl]sulfonyl-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 157051270) has the molecular formula C24H32N4O3S and a molecular weight of 456.61 g/mol. Its IUPAC name is 1-[4-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]phenyl]sulfonyl-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]phenyl]sulfonyl-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID157051270
Molecular FormulaC24H32N4O3S
Molecular Weight456.61 g/mol
Exact Mass456.22
IUPAC Name1-[4-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]phenyl]sulfonyl-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCNC(=O)C1=CCN(S(=O)(=O)c2ccc(-c3ccc(CNCCN(C)C)cc3)cc2)CC1
InChIInChI=1S/C24H32N4O3S/c1-25-24(29)22-12-15-28(16-13-22)32(30,31)23-10-8-21(9-11-23)20-6-4-19(5-7-20)18-26-14-17-27(2)3/h4-12,26H,13-18H2,1-3H3,(H,25,29)
InChIKeyVPSVIMZTBZUWBI-UHFFFAOYSA-N
XLogP2.07
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]phenyl]sulfonyl-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-1-[4-[4-[2-(methylamino)ethylamino]phenyl]phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 167003334
N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 130204627
1-[1-[4-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]ethanone
CID 130205167
1-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 20881524
N-(4-methylcyclohexyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 4232717
ethyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 130205049
N-cyclopentyl-1-(4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 20881502
1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 20881517
N-[2-(dimethylamino)ethyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 50767976
N-hydroxy-1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 130204663
1-[4-[4-[4-(1-methoxy-2-methylpropan-2-yl)piperazin-1-yl]phenyl]phenyl]sulfonyl-N-nitroso-3,6-dihydro-2H-pyridine-4-carboxamide
CID 130205146
N-[[4-(4-oxopiperidin-1-yl)sulfonylphenyl]methyl]acetamide
CID 59772975

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]phenyl]sulfonyl-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of 1-[4-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]phenyl]sulfonyl-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide (CID 157051270) is 1-[4-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]phenyl]sulfonyl-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for 1-[4-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]phenyl]sulfonyl-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for 1-[4-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]phenyl]sulfonyl-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide is CNC(=O)C1=CCN(S(=O)(=O)c2ccc(-c3ccc(CNCCN(C)C)cc3)cc2)CC1.
What is the InChIKey of 1-[4-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]phenyl]sulfonyl-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is VPSVIMZTBZUWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3S/c1-25-24(29)22-12-15-28(16-13-22)32(30,31)23-10-8-21(9-11-23)20-6-4-19(5-7-20)18-26-14-17-27(2)3/h4-12,26H,13-18H2,1-3H3,(H,25,29).
What are the key properties of 1-[4-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]phenyl]sulfonyl-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide?
1-[4-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]phenyl]sulfonyl-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 456.61 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]phenyl]sulfonyl-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 157051270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).