6-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide

C11H15N5O2S — CID 62158685

IUPAC6-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)NCc2cnn(C)c2)cn1
InChIInChI=1S/C11H15N5O2S/c1-12-11-4-3-10(7-13-11)19(17,18)15-6-9-5-14-16(2)8-9/h3-5,7-8,15H,6H2,1-2H3,(H,12,13)
InChIKeyQMJAXHYMSZBGHS-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.34
Rot. Bonds5

About 6-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide

6-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide (PubChem CID 62158685) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 6-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
PubChem CID62158685
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name6-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)NCc2cnn(C)c2)cn1
InChIInChI=1S/C11H15N5O2S/c1-12-11-4-3-10(7-13-11)19(17,18)15-6-9-5-14-16(2)8-9/h3-5,7-8,15H,6H2,1-2H3,(H,12,13)
InChIKeyQMJAXHYMSZBGHS-UHFFFAOYSA-N
XLogP0.34
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide
CID 62158845
4-(2-chloroethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 61348717
3-chloro-4-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106018256
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 106049625
6-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide
CID 62146516
3-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 81259081
1-[3-(methylamino)propyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 106018228
N-[(2-methoxy-4-pyridinyl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62989683
5-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106018213
1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 106018180
4-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 80689629
6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-3-sulfonamide
CID 62144545

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide (CID 62158685) is 6-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide is CNc1ccc(S(=O)(=O)NCc2cnn(C)c2)cn1.
What is the InChIKey of 6-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is QMJAXHYMSZBGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-12-11-4-3-10(7-13-11)19(17,18)15-6-9-5-14-16(2)8-9/h3-5,7-8,15H,6H2,1-2H3,(H,12,13).
What are the key properties of 6-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide?
6-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 62158685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).