2-(aminomethyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide

C10H15N3O3S — CID 114325900

IUPAC2-(aminomethyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1ccnc(CN)c1
InChIInChI=1S/C10H15N3O3S/c1-17(15,16)5-4-13-10(14)8-2-3-12-9(6-8)7-11/h2-3,6H,4-5,7,11H2,1H3,(H,13,14)
InChIKeyDGFJKYKKCZUDSS-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.69
Rot. Bonds5

About 2-(aminomethyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide

2-(aminomethyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide (PubChem CID 114325900) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
PubChem CID114325900
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-(aminomethyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1ccnc(CN)c1
InChIInChI=1S/C10H15N3O3S/c1-17(15,16)5-4-13-10(14)8-2-3-12-9(6-8)7-11/h2-3,6H,4-5,7,11H2,1H3,(H,13,14)
InChIKeyDGFJKYKKCZUDSS-UHFFFAOYSA-N
XLogP-0.69
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
2-(aminomethyl)-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 114326601
2-(aminomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-4-carboxamide
CID 114325905
2-(aminomethyl)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide
CID 104844461
2-(aminomethyl)-N-(2-ethyl-2-hydroxybutyl)pyridine-4-carboxamide
CID 114326677
2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
CID 114326285
2-amino-N-(2-sulfamoylethyl)pyridine-4-carboxamide
CID 62155665
2-(aminomethyl)-N-pent-4-ynylpyridine-4-carboxamide
CID 104860710
4-amino-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 54932022
2-amino-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-carboxamide
CID 106342687
2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 112529343
2-(aminomethyl)-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 112530316

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide (CID 114325900) is 2-(aminomethyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide is CS(=O)(=O)CCNC(=O)c1ccnc(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide?
The InChIKey is DGFJKYKKCZUDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-17(15,16)5-4-13-10(14)8-2-3-12-9(6-8)7-11/h2-3,6H,4-5,7,11H2,1H3,(H,13,14).
What are the key properties of 2-(aminomethyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide has a molecular weight of 257.31 g/mol, XLogP of -0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114325900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).