N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]pyridine-3-sulfonamide

C24H37N5O2S — CID 135233939

IUPACN-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]pyridine-3-sulfonamide
SMILESCNc1nc(C2CCC(C)(C)C(NS(=O)(=O)c3cccnc3)C2)ccc1NCC(C)(C)C
InChIInChI=1S/C24H37N5O2S/c1-23(2,3)16-27-20-10-9-19(28-22(20)25-6)17-11-12-24(4,5)21(14-17)29-32(30,31)18-8-7-13-26-15-18/h7-10,13,15,17,21,27,29H,11-12,14,16H2,1-6H3,(H,25,28)
InChIKeyCPIMROYUELYWGP-UHFFFAOYSA-N
MW459.66 g/mol
LogP4.62
Rot. Bonds7

About N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]pyridine-3-sulfonamide

N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]pyridine-3-sulfonamide (PubChem CID 135233939) has the molecular formula C24H37N5O2S and a molecular weight of 459.66 g/mol. Its IUPAC name is N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]pyridine-3-sulfonamide
PubChem CID135233939
Molecular FormulaC24H37N5O2S
Molecular Weight459.66 g/mol
Exact Mass459.27
IUPAC NameN-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]pyridine-3-sulfonamide
SMILESCNc1nc(C2CCC(C)(C)C(NS(=O)(=O)c3cccnc3)C2)ccc1NCC(C)(C)C
InChIInChI=1S/C24H37N5O2S/c1-23(2,3)16-27-20-10-9-19(28-22(20)25-6)17-11-12-24(4,5)21(14-17)29-32(30,31)18-8-7-13-26-15-18/h7-10,13,15,17,21,27,29H,11-12,14,16H2,1-6H3,(H,25,28)
InChIKeyCPIMROYUELYWGP-UHFFFAOYSA-N
XLogP4.62
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.66
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]pyridine-3-sulfonamide with MolForge

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Related Compounds

N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-4-formylbenzenesulfonamide
CID 135233444
N-(4-tert-butyl-4-propan-2-ylcyclohexyl)pyridine-3-sulfonamide
CID 130233502
N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-5-methyl-1,2-oxazole-4-sulfonamide
CID 71136217
2-cyano-N-[5-[5-(2,2-dimethylpropylamino)-6-[methyl(nitroso)amino]-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide
CID 135233555
1-methyl-2-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 83214671
N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridine-3-sulfonamide
CID 71997395
N-(3-methylcyclohexyl)pyridine-3-sulfonamide
CID 47331340
N-(3-aminocyclobutyl)pyridine-3-sulfonamide
CID 43597835
N-pyrrolidin-3-ylpyridine-3-sulfonamide
CID 62380285
N-(2-amino-2-methylpropyl)pyridine-3-sulfonamide
CID 115303456
N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 131898317
N-(3-amino-2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 115365958

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]pyridine-3-sulfonamide?
The IUPAC name of N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]pyridine-3-sulfonamide (CID 135233939) is N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]pyridine-3-sulfonamide is CNc1nc(C2CCC(C)(C)C(NS(=O)(=O)c3cccnc3)C2)ccc1NCC(C)(C)C.
What is the InChIKey of N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]pyridine-3-sulfonamide?
The InChIKey is CPIMROYUELYWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O2S/c1-23(2,3)16-27-20-10-9-19(28-22(20)25-6)17-11-12-24(4,5)21(14-17)29-32(30,31)18-8-7-13-26-15-18/h7-10,13,15,17,21,27,29H,11-12,14,16H2,1-6H3,(H,25,28).
What are the key properties of N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]pyridine-3-sulfonamide?
N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]pyridine-3-sulfonamide has a molecular weight of 459.66 g/mol, XLogP of 4.62, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]pyridine-3-sulfonamide is sourced from PubChem (CID 135233939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).