N-pentan-3-yl-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridine-3-sulfonamide

C22H26N4O2S — CID 56585243

IUPACN-pentan-3-yl-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridine-3-sulfonamide
SMILESCCC(CC)NS(=O)(=O)c1ccc(NC(c2ccccc2)c2ccccn2)nc1
InChIInChI=1S/C22H26N4O2S/c1-3-18(4-2)26-29(27,28)19-13-14-21(24-16-19)25-22(17-10-6-5-7-11-17)20-12-8-9-15-23-20/h5-16,18,22,26H,3-4H2,1-2H3,(H,24,25)
InChIKeyBWYQCUFTHOVBME-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.14
Rot. Bonds9

About N-pentan-3-yl-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridine-3-sulfonamide

N-pentan-3-yl-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridine-3-sulfonamide (PubChem CID 56585243) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-pentan-3-yl-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-pentan-3-yl-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridine-3-sulfonamide
PubChem CID56585243
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC NameN-pentan-3-yl-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridine-3-sulfonamide
SMILESCCC(CC)NS(=O)(=O)c1ccc(NC(c2ccccc2)c2ccccn2)nc1
InChIInChI=1S/C22H26N4O2S/c1-3-18(4-2)26-29(27,28)19-13-14-21(24-16-19)25-22(17-10-6-5-7-11-17)20-12-8-9-15-23-20/h5-16,18,22,26H,3-4H2,1-2H3,(H,24,25)
InChIKeyBWYQCUFTHOVBME-UHFFFAOYSA-N
XLogP4.14
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2R)-butan-2-yl]-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25357202
4-[(2S)-butan-2-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25357201
2-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
CID 122058332
6-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 43524541
2-hydroxy-2-methyl-3-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
CID 122060999
6-amino-N-pentan-3-ylpyridine-3-sulfonamide
CID 62148993
N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133364190
2,3,4,5,6-pentamethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25327185
2-ethylsulfonyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 103948036
2-[(S)-phenyl-(sulfamoylamino)methyl]pyridine
CID 95133440
6-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 114613153
3-acetyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 95145320

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridine-3-sulfonamide?
The IUPAC name of N-pentan-3-yl-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridine-3-sulfonamide (CID 56585243) is N-pentan-3-yl-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridine-3-sulfonamide.
What is the SMILES notation for N-pentan-3-yl-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridine-3-sulfonamide?
The canonical SMILES for N-pentan-3-yl-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridine-3-sulfonamide is CCC(CC)NS(=O)(=O)c1ccc(NC(c2ccccc2)c2ccccn2)nc1.
What is the InChIKey of N-pentan-3-yl-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridine-3-sulfonamide?
The InChIKey is BWYQCUFTHOVBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-3-18(4-2)26-29(27,28)19-13-14-21(24-16-19)25-22(17-10-6-5-7-11-17)20-12-8-9-15-23-20/h5-16,18,22,26H,3-4H2,1-2H3,(H,24,25).
What are the key properties of N-pentan-3-yl-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridine-3-sulfonamide?
N-pentan-3-yl-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridine-3-sulfonamide has a molecular weight of 410.54 g/mol, XLogP of 4.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridine-3-sulfonamide is sourced from PubChem (CID 56585243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).