2-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide

C13H19N5O2S — CID 106594373

IUPAC2-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide
SMILESCc1[nH]ncc1CCCNS(=O)(=O)c1cccnc1CN
InChIInChI=1S/C13H19N5O2S/c1-10-11(9-16-18-10)4-2-7-17-21(19,20)13-5-3-6-15-12(13)8-14/h3,5-6,9,17H,2,4,7-8,14H2,1H3,(H,16,18)
InChIKeyVROCVSXPAUZHLS-UHFFFAOYSA-N
MW309.40 g/mol
LogP0.48
Rot. Bonds7

About 2-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide

2-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide (PubChem CID 106594373) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide
PubChem CID106594373
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name2-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide
SMILESCc1[nH]ncc1CCCNS(=O)(=O)c1cccnc1CN
InChIInChI=1S/C13H19N5O2S/c1-10-11(9-16-18-10)4-2-7-17-21(19,20)13-5-3-6-15-12(13)8-14/h3,5-6,9,17H,2,4,7-8,14H2,1H3,(H,16,18)
InChIKeyVROCVSXPAUZHLS-UHFFFAOYSA-N
XLogP0.48
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide
CID 62040457
2-(aminomethyl)-N-(4-methoxybutyl)pyridine-3-sulfonamide
CID 106594289
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide
CID 62040706
2-(aminomethyl)-N-(6-methyl-3-pyridinyl)pyridine-3-sulfonamide
CID 106594765
2-amino-6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide
CID 62038556
2-(aminomethyl)-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-3-sulfonamide
CID 106055239
4-bromo-2-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide
CID 62040495
1,1,1-trifluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]methanesulfonamide
CID 62040916
3-(5-methyl-1H-pyrazol-4-yl)-N-(methylsulfamoyl)propan-1-amine
CID 114810051
2-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide
CID 106594474
4-[3-(dimethylsulfamoylamino)propyl]-5-methyl-1H-pyrazole
CID 62040310
2-(aminomethyl)-N-(2-ethoxyethyl)pyridine-3-sulfonamide
CID 106593983

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide (CID 106594373) is 2-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide is Cc1[nH]ncc1CCCNS(=O)(=O)c1cccnc1CN.
What is the InChIKey of 2-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide?
The InChIKey is VROCVSXPAUZHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-10-11(9-16-18-10)4-2-7-17-21(19,20)13-5-3-6-15-12(13)8-14/h3,5-6,9,17H,2,4,7-8,14H2,1H3,(H,16,18).
What are the key properties of 2-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide?
2-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide has a molecular weight of 309.40 g/mol, XLogP of 0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide is sourced from PubChem (CID 106594373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).