N,N-diethyl-6-(pyridin-2-ylmethylamino)pyridine-3-sulfonamide

C15H20N4O2S — CID 4799617

IUPACN,N-diethyl-6-(pyridin-2-ylmethylamino)pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NCc2ccccn2)nc1
InChIInChI=1S/C15H20N4O2S/c1-3-19(4-2)22(20,21)14-8-9-15(18-12-14)17-11-13-7-5-6-10-16-13/h5-10,12H,3-4,11H2,1-2H3,(H,17,18)
InChIKeyAAMSEANKILWKLX-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.12
Rot. Bonds7

About N,N-diethyl-6-(pyridin-2-ylmethylamino)pyridine-3-sulfonamide

N,N-diethyl-6-(pyridin-2-ylmethylamino)pyridine-3-sulfonamide (PubChem CID 4799617) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N,N-diethyl-6-(pyridin-2-ylmethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-(pyridin-2-ylmethylamino)pyridine-3-sulfonamide
PubChem CID4799617
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN,N-diethyl-6-(pyridin-2-ylmethylamino)pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NCc2ccccn2)nc1
InChIInChI=1S/C15H20N4O2S/c1-3-19(4-2)22(20,21)14-8-9-15(18-12-14)17-11-13-7-5-6-10-16-13/h5-10,12H,3-4,11H2,1-2H3,(H,17,18)
InChIKeyAAMSEANKILWKLX-UHFFFAOYSA-N
XLogP2.12
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-(pyridin-2-ylmethylamino)pyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-6-(pyridin-2-ylmethylamino)pyridine-3-sulfonamide (CID 4799617) is N,N-diethyl-6-(pyridin-2-ylmethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-(pyridin-2-ylmethylamino)pyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-6-(pyridin-2-ylmethylamino)pyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(NCc2ccccn2)nc1.
What is the InChIKey of N,N-diethyl-6-(pyridin-2-ylmethylamino)pyridine-3-sulfonamide?
The InChIKey is AAMSEANKILWKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-3-19(4-2)22(20,21)14-8-9-15(18-12-14)17-11-13-7-5-6-10-16-13/h5-10,12H,3-4,11H2,1-2H3,(H,17,18).
What are the key properties of N,N-diethyl-6-(pyridin-2-ylmethylamino)pyridine-3-sulfonamide?
N,N-diethyl-6-(pyridin-2-ylmethylamino)pyridine-3-sulfonamide has a molecular weight of 320.42 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-(pyridin-2-ylmethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 4799617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).