5-(2-hydroxyethylsulfanylmethyl)pyridine-3-carboxamide

C9H12N2O2S — CID 10488731

IUPAC5-(2-hydroxyethylsulfanylmethyl)pyridine-3-carboxamide
SMILESNC(=O)c1cncc(CSCCO)c1
InChIInChI=1S/C9H12N2O2S/c10-9(13)8-3-7(4-11-5-8)6-14-2-1-12/h3-5,12H,1-2,6H2,(H2,10,13)
InChIKeyFCOFUPWRBLQMPM-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.41
Rot. Bonds5

About 5-(2-hydroxyethylsulfanylmethyl)pyridine-3-carboxamide

5-(2-hydroxyethylsulfanylmethyl)pyridine-3-carboxamide (PubChem CID 10488731) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 5-(2-hydroxyethylsulfanylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-hydroxyethylsulfanylmethyl)pyridine-3-carboxamide
PubChem CID10488731
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name5-(2-hydroxyethylsulfanylmethyl)pyridine-3-carboxamide
SMILESNC(=O)c1cncc(CSCCO)c1
InChIInChI=1S/C9H12N2O2S/c10-9(13)8-3-7(4-11-5-8)6-14-2-1-12/h3-5,12H,1-2,6H2,(H2,10,13)
InChIKeyFCOFUPWRBLQMPM-UHFFFAOYSA-N
XLogP0.41
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethylsulfanylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2-hydroxyethylsulfanylmethyl)pyridine-3-carboxamide (CID 10488731) is 5-(2-hydroxyethylsulfanylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-hydroxyethylsulfanylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2-hydroxyethylsulfanylmethyl)pyridine-3-carboxamide is NC(=O)c1cncc(CSCCO)c1.
What is the InChIKey of 5-(2-hydroxyethylsulfanylmethyl)pyridine-3-carboxamide?
The InChIKey is FCOFUPWRBLQMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c10-9(13)8-3-7(4-11-5-8)6-14-2-1-12/h3-5,12H,1-2,6H2,(H2,10,13).
What are the key properties of 5-(2-hydroxyethylsulfanylmethyl)pyridine-3-carboxamide?
5-(2-hydroxyethylsulfanylmethyl)pyridine-3-carboxamide has a molecular weight of 212.27 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethylsulfanylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 10488731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).