N-[2-[benzyl(pyridin-2-yl)amino]ethyl]-4-methylpyridine-3-sulfonamide

C20H22N4O2S — CID 167810244

IUPACN-[2-[benzyl(pyridin-2-yl)amino]ethyl]-4-methylpyridine-3-sulfonamide
SMILESCc1ccncc1S(=O)(=O)NCCN(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C20H22N4O2S/c1-17-10-12-21-15-19(17)27(25,26)23-13-14-24(20-9-5-6-11-22-20)16-18-7-3-2-4-8-18/h2-12,15,23H,13-14,16H2,1H3
InChIKeyXGLDBKZUMYCFTJ-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.77
Rot. Bonds8

About N-[2-[benzyl(pyridin-2-yl)amino]ethyl]-4-methylpyridine-3-sulfonamide

N-[2-[benzyl(pyridin-2-yl)amino]ethyl]-4-methylpyridine-3-sulfonamide (PubChem CID 167810244) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[2-[benzyl(pyridin-2-yl)amino]ethyl]-4-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-[benzyl(pyridin-2-yl)amino]ethyl]-4-methylpyridine-3-sulfonamide
PubChem CID167810244
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-[2-[benzyl(pyridin-2-yl)amino]ethyl]-4-methylpyridine-3-sulfonamide
SMILESCc1ccncc1S(=O)(=O)NCCN(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C20H22N4O2S/c1-17-10-12-21-15-19(17)27(25,26)23-13-14-24(20-9-5-6-11-22-20)16-18-7-3-2-4-8-18/h2-12,15,23H,13-14,16H2,1H3
InChIKeyXGLDBKZUMYCFTJ-UHFFFAOYSA-N
XLogP2.77
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-benzyl-N-[1-(3-ethyl-4-pyridinyl)ethyl]-N'-pyridin-2-ylethane-1,2-diamine
CID 166382610
N'-benzyl-N-(3-bromo-2-methyl-4-pyridinyl)-N'-pyridin-2-ylethane-1,2-diamine
CID 166382623
2-methyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]benzenesulfonamide
CID 113067319
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylpyridine-3-sulfonamide
CID 124890385
N-benzyl-N-(2-bromoethyl)-3-methylpyridin-2-amine
CID 80675179
N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
CID 70976609
N-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]formamide
CID 4112248
3-[benzyl-(4-methyl-2-pyridinyl)amino]propanoic acid
CID 82317310
N-benzyl-1,1,2,2-tetradeuterio-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine;hydrochloride
CID 162641472
N-[2-(benzenesulfonamido)ethyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113055482
N'-benzyl-N'-(5-bromo-4-methyl-2-pyridinyl)ethane-1,2-diamine
CID 114868985
2-[2-[2-[(4-methyl-3-pyridinyl)sulfonylamino]ethyl]-1,3-thiazol-4-yl]acetic acid
CID 146092987

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(pyridin-2-yl)amino]ethyl]-4-methylpyridine-3-sulfonamide?
The IUPAC name of N-[2-[benzyl(pyridin-2-yl)amino]ethyl]-4-methylpyridine-3-sulfonamide (CID 167810244) is N-[2-[benzyl(pyridin-2-yl)amino]ethyl]-4-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-[2-[benzyl(pyridin-2-yl)amino]ethyl]-4-methylpyridine-3-sulfonamide?
The canonical SMILES for N-[2-[benzyl(pyridin-2-yl)amino]ethyl]-4-methylpyridine-3-sulfonamide is Cc1ccncc1S(=O)(=O)NCCN(Cc1ccccc1)c1ccccn1.
What is the InChIKey of N-[2-[benzyl(pyridin-2-yl)amino]ethyl]-4-methylpyridine-3-sulfonamide?
The InChIKey is XGLDBKZUMYCFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-17-10-12-21-15-19(17)27(25,26)23-13-14-24(20-9-5-6-11-22-20)16-18-7-3-2-4-8-18/h2-12,15,23H,13-14,16H2,1H3.
What are the key properties of N-[2-[benzyl(pyridin-2-yl)amino]ethyl]-4-methylpyridine-3-sulfonamide?
N-[2-[benzyl(pyridin-2-yl)amino]ethyl]-4-methylpyridine-3-sulfonamide has a molecular weight of 382.49 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(pyridin-2-yl)amino]ethyl]-4-methylpyridine-3-sulfonamide is sourced from PubChem (CID 167810244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).