N,N-dimethyl-6-oxo-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]pyridine-3-sulfonamide

C17H23N5O3S — CID 9280616

IUPACN,N-dimethyl-6-oxo-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]pyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(=O)n(CN2CCN(c3ccncc3)CC2)c1
InChIInChI=1S/C17H23N5O3S/c1-19(2)26(24,25)16-3-4-17(23)22(13-16)14-20-9-11-21(12-10-20)15-5-7-18-8-6-15/h3-8,13H,9-12,14H2,1-2H3
InChIKeyLBVJPUWQHWGHGT-UHFFFAOYSA-N
MW377.47 g/mol
LogP0.27
Rot. Bonds5

About N,N-dimethyl-6-oxo-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]pyridine-3-sulfonamide

N,N-dimethyl-6-oxo-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]pyridine-3-sulfonamide (PubChem CID 9280616) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is N,N-dimethyl-6-oxo-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-6-oxo-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]pyridine-3-sulfonamide
PubChem CID9280616
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC NameN,N-dimethyl-6-oxo-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]pyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(=O)n(CN2CCN(c3ccncc3)CC2)c1
InChIInChI=1S/C17H23N5O3S/c1-19(2)26(24,25)16-3-4-17(23)22(13-16)14-20-9-11-21(12-10-20)15-5-7-18-8-6-15/h3-8,13H,9-12,14H2,1-2H3
InChIKeyLBVJPUWQHWGHGT-UHFFFAOYSA-N
XLogP0.27
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-oxo-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-6-oxo-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]pyridine-3-sulfonamide (CID 9280616) is N,N-dimethyl-6-oxo-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-6-oxo-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-6-oxo-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]pyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(=O)n(CN2CCN(c3ccncc3)CC2)c1.
What is the InChIKey of N,N-dimethyl-6-oxo-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is LBVJPUWQHWGHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-19(2)26(24,25)16-3-4-17(23)22(13-16)14-20-9-11-21(12-10-20)15-5-7-18-8-6-15/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of N,N-dimethyl-6-oxo-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]pyridine-3-sulfonamide?
N,N-dimethyl-6-oxo-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 377.47 g/mol, XLogP of 0.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-oxo-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 9280616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).