6-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide

C13H16N4O2S — CID 114957445

IUPAC6-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)NCc2cnccc2C)cn1
InChIInChI=1S/C13H16N4O2S/c1-10-5-6-15-7-11(10)8-17-20(18,19)12-3-4-13(14-2)16-9-12/h3-7,9,17H,8H2,1-2H3,(H,14,16)
InChIKeyIZBCOAFVNMNGLH-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.31
Rot. Bonds5

About 6-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide

6-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide (PubChem CID 114957445) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 6-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
PubChem CID114957445
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name6-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)NCc2cnccc2C)cn1
InChIInChI=1S/C13H16N4O2S/c1-10-5-6-15-7-11(10)8-17-20(18,19)12-3-4-13(14-2)16-9-12/h3-7,9,17H,8H2,1-2H3,(H,14,16)
InChIKeyIZBCOAFVNMNGLH-UHFFFAOYSA-N
XLogP1.31
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyano-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114956180
5,6-dichloro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114955310
4-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114957462
4-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114955251
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 106049625
6-(methylamino)-N-[2-(2-methylphenyl)ethyl]pyridine-3-sulfonamide
CID 79755229
6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-3-sulfonamide
CID 62144545
6-(ethylamino)-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 62147749
6-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide
CID 62146516
N-[(4-methyl-3-pyridinyl)methyl]-2,3-dihydro-1H-indole-6-sulfonamide
CID 114956766
N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 110865640
4-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114957452

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide (CID 114957445) is 6-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide is CNc1ccc(S(=O)(=O)NCc2cnccc2C)cn1.
What is the InChIKey of 6-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide?
The InChIKey is IZBCOAFVNMNGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-10-5-6-15-7-11(10)8-17-20(18,19)12-3-4-13(14-2)16-9-12/h3-7,9,17H,8H2,1-2H3,(H,14,16).
What are the key properties of 6-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide?
6-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 114957445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).