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

C11H17N3O2S — CID 104844461

IUPAC2-(aminomethyl)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide
SMILESCCS(=O)CCNC(=O)c1ccnc(CN)c1
InChIInChI=1S/C11H17N3O2S/c1-2-17(16)6-5-14-11(15)9-3-4-13-10(7-9)8-12/h3-4,7H,2,5-6,8,12H2,1H3,(H,14,15)
InChIKeySLMBEKBNMOQSPQ-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.04
Rot. Bonds6

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

2-(aminomethyl)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide (PubChem CID 104844461) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide
PubChem CID104844461
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-(aminomethyl)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide
SMILESCCS(=O)CCNC(=O)c1ccnc(CN)c1
InChIInChI=1S/C11H17N3O2S/c1-2-17(16)6-5-14-11(15)9-3-4-13-10(7-9)8-12/h3-4,7H,2,5-6,8,12H2,1H3,(H,14,15)
InChIKeySLMBEKBNMOQSPQ-UHFFFAOYSA-N
XLogP0.04
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide
CID 113252013
N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
2-(aminomethyl)-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 114326601
2-(aminomethyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 114325900
2-(aminomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-4-carboxamide
CID 114325905
3-amino-N-(2-ethylsulfinylethyl)-4-methylbenzamide
CID 113266704
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-(aminomethyl)-N-pent-4-ynylpyridine-4-carboxamide
CID 104860710
2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridine-4-carboxamide
CID 114326261
2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 112529343
N-(2-ethylsulfinylethyl)-5-hydroxypyridine-3-carboxamide
CID 115633331

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide (CID 104844461) is 2-(aminomethyl)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide is CCS(=O)CCNC(=O)c1ccnc(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide?
The InChIKey is SLMBEKBNMOQSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-2-17(16)6-5-14-11(15)9-3-4-13-10(7-9)8-12/h3-4,7H,2,5-6,8,12H2,1H3,(H,14,15).
What are the key properties of 2-(aminomethyl)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 104844461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).