5-(ethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide

C13H16N4O2S — CID 82222898

IUPAC5-(ethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
SMILESCCNc1cncc(S(=O)(=O)NCc2ccncc2)c1
InChIInChI=1S/C13H16N4O2S/c1-2-16-12-7-13(10-15-9-12)20(18,19)17-8-11-3-5-14-6-4-11/h3-7,9-10,16-17H,2,8H2,1H3
InChIKeyGYZKOCNUOFYHBT-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.39
Rot. Bonds6

About 5-(ethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide

5-(ethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide (PubChem CID 82222898) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-(ethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
PubChem CID82222898
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name5-(ethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
SMILESCCNc1cncc(S(=O)(=O)NCc2ccncc2)c1
InChIInChI=1S/C13H16N4O2S/c1-2-16-12-7-13(10-15-9-12)20(18,19)17-8-11-3-5-14-6-4-11/h3-7,9-10,16-17H,2,8H2,1H3
InChIKeyGYZKOCNUOFYHBT-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(ethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 62150311
N-(3-ethoxypropyl)-5-(ethylamino)pyridine-3-sulfonamide
CID 82222909
5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
CID 94963622
1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 19683256
2-(propylamino)-N-(pyridin-4-ylmethyl)pyridine-4-sulfonamide
CID 62148405
5-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide
CID 82222930
3-N-propyl-5-N-(pyridin-4-ylmethyl)pyridine-3,5-diamine
CID 104532744
4-ethoxy-3-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 2238756
4-bromo-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 5312185
3-(1-aminopropyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 60872660
4-(3-methyl-4-pyridinyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 165409513
4-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 55042991

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-(ethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide (CID 82222898) is 5-(ethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-(ethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-(ethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide is CCNc1cncc(S(=O)(=O)NCc2ccncc2)c1.
What is the InChIKey of 5-(ethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is GYZKOCNUOFYHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-2-16-12-7-13(10-15-9-12)20(18,19)17-8-11-3-5-14-6-4-11/h3-7,9-10,16-17H,2,8H2,1H3.
What are the key properties of 5-(ethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide?
5-(ethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 82222898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).