N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-3-sulfonamide

C12H17N5O2S — CID 106049652

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)NCc1cnn(C)c1C
InChIInChI=1S/C12H17N5O2S/c1-9-10(7-15-17(9)3)8-16-20(18,19)11-5-4-6-14-12(11)13-2/h4-7,16H,8H2,1-3H3,(H,13,14)
InChIKeyDGYXIKBKLWUVNJ-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.64
Rot. Bonds5

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-3-sulfonamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-3-sulfonamide (PubChem CID 106049652) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-3-sulfonamide
PubChem CID106049652
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)NCc1cnn(C)c1C
InChIInChI=1S/C12H17N5O2S/c1-9-10(7-15-17(9)3)8-16-20(18,19)11-5-4-6-14-12(11)13-2/h4-7,16H,8H2,1-3H3,(H,13,14)
InChIKeyDGYXIKBKLWUVNJ-UHFFFAOYSA-N
XLogP0.64
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22209446
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 106043704
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 106049625
2-(methylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-sulfonamide
CID 62156810
N-[(4-ethylphenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide
CID 106900712
2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide
CID 62146869
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 19577878
N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide
CID 62164717
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22209434
2-(methylamino)-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide
CID 63247729
4-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106033797
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106094908

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-3-sulfonamide (CID 106049652) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-3-sulfonamide is CNc1ncccc1S(=O)(=O)NCc1cnn(C)c1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-3-sulfonamide?
The InChIKey is DGYXIKBKLWUVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-9-10(7-15-17(9)3)8-16-20(18,19)11-5-4-6-14-12(11)13-2/h4-7,16H,8H2,1-3H3,(H,13,14).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-3-sulfonamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-3-sulfonamide has a molecular weight of 295.37 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 106049652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).