N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide

C13H16N4O2S — CID 62147367

IUPACN-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)N(C)Cc1ccncc1
InChIInChI=1S/C13H16N4O2S/c1-14-13-12(4-3-7-16-13)20(18,19)17(2)10-11-5-8-15-9-6-11/h3-9H,10H2,1-2H3,(H,14,16)
InChIKeyUNJXTCILOQIGIR-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.34
Rot. Bonds5

About N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide

N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide (PubChem CID 62147367) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
PubChem CID62147367
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)N(C)Cc1ccncc1
InChIInChI=1S/C13H16N4O2S/c1-14-13-12(4-3-7-16-13)20(18,19)17(2)10-11-5-8-15-9-6-11/h3-9H,10H2,1-2H3,(H,14,16)
InChIKeyUNJXTCILOQIGIR-UHFFFAOYSA-N
XLogP1.34
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 43564507
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 64518142
N-butyl-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 62162650
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 62159075
2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 43420461
2-hydrazinyl-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
CID 43563717
2-cyano-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 43420467
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 62152806
N-methyl-2-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide
CID 62146077
5-bromo-2-hydrazinyl-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 61299318
N-methyl-2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 112664021
2-(methylamino)pyridine-3-sulfonic acid
CID 15595252

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide (CID 62147367) is N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide is CNc1ncccc1S(=O)(=O)N(C)Cc1ccncc1.
What is the InChIKey of N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is UNJXTCILOQIGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-14-13-12(4-3-7-16-13)20(18,19)17(2)10-11-5-8-15-9-6-11/h3-9H,10H2,1-2H3,(H,14,16).
What are the key properties of N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide?
N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 62147367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).