N,N-diethyl-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-sulfonamide

C16H22N4O2S — CID 4879849

IUPACN,N-diethyl-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N(C)Cc2cccnc2)nc1
InChIInChI=1S/C16H22N4O2S/c1-4-20(5-2)23(21,22)15-8-9-16(18-12-15)19(3)13-14-7-6-10-17-11-14/h6-12H,4-5,13H2,1-3H3
InChIKeyDFZNBKKKKBSJML-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.14
Rot. Bonds7

About N,N-diethyl-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-sulfonamide

N,N-diethyl-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-sulfonamide (PubChem CID 4879849) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is N,N-diethyl-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-sulfonamide
PubChem CID4879849
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC NameN,N-diethyl-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N(C)Cc2cccnc2)nc1
InChIInChI=1S/C16H22N4O2S/c1-4-20(5-2)23(21,22)15-8-9-16(18-12-15)19(3)13-14-7-6-10-17-11-14/h6-12H,4-5,13H2,1-3H3
InChIKeyDFZNBKKKKBSJML-UHFFFAOYSA-N
XLogP2.14
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-sulfonamide (CID 4879849) is N,N-diethyl-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(N(C)Cc2cccnc2)nc1.
What is the InChIKey of N,N-diethyl-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-sulfonamide?
The InChIKey is DFZNBKKKKBSJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-4-20(5-2)23(21,22)15-8-9-16(18-12-15)19(3)13-14-7-6-10-17-11-14/h6-12H,4-5,13H2,1-3H3.
What are the key properties of N,N-diethyl-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-sulfonamide?
N,N-diethyl-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-sulfonamide has a molecular weight of 334.45 g/mol, XLogP of 2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-sulfonamide is sourced from PubChem (CID 4879849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).