N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]ethanesulfonamide

C13H16N4O2S — CID 113012955

IUPACN-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(NCc2ccncc2)nc1
InChIInChI=1S/C13H16N4O2S/c1-2-20(18,19)17-12-3-4-13(16-10-12)15-9-11-5-7-14-8-6-11/h3-8,10,17H,2,9H2,1H3,(H,15,16)
InChIKeyYWORKZKDDPSEGD-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.85
Rot. Bonds6

About N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]ethanesulfonamide

N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]ethanesulfonamide (PubChem CID 113012955) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]ethanesulfonamide
PubChem CID113012955
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(NCc2ccncc2)nc1
InChIInChI=1S/C13H16N4O2S/c1-2-20(18,19)17-12-3-4-13(16-10-12)15-9-11-5-7-14-8-6-11/h3-8,10,17H,2,9H2,1H3,(H,15,16)
InChIKeyYWORKZKDDPSEGD-UHFFFAOYSA-N
XLogP1.85
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propane-1-sulfonamide
CID 113012956
4-tert-butyl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012992
4-propan-2-yl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012969
N-[4-(pyridin-4-ylmethylamino)phenyl]propane-1-sulfonamide
CID 112983175
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]methanesulfonamide
CID 113012323
N,N-dimethyl-6-(pyridin-4-ylmethylamino)pyridine-3-sulfonamide
CID 104999383
N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]butanamide
CID 113027859
1-propan-2-yl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea
CID 113012952
N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]-2-phenylethanesulfonamide
CID 113011837
5-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113027958
1-phenyl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea
CID 113012942
5-(dimethylsulfamoylamino)-2-[(4-fluorophenyl)methylamino]pyridine
CID 113012162

Frequently Asked Questions

What is the IUPAC name of N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]ethanesulfonamide?
The IUPAC name of N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]ethanesulfonamide (CID 113012955) is N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(NCc2ccncc2)nc1.
What is the InChIKey of N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]ethanesulfonamide?
The InChIKey is YWORKZKDDPSEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-2-20(18,19)17-12-3-4-13(16-10-12)15-9-11-5-7-14-8-6-11/h3-8,10,17H,2,9H2,1H3,(H,15,16).
What are the key properties of N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]ethanesulfonamide?
N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]ethanesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 113012955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).