1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide

C8H12N2O2S — CID 141330983

IUPAC1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESNC(=O)C1=CC=CN(CCO)C1S
InChIInChI=1S/C8H12N2O2S/c9-7(12)6-2-1-3-10(4-5-11)8(6)13/h1-3,8,11,13H,4-5H2,(H2,9,12)
InChIKeyWDJUAUKNCAERMY-UHFFFAOYSA-N
MW200.26 g/mol
LogP-0.52
Rot. Bonds3

About 1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide

1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide (PubChem CID 141330983) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide
PubChem CID141330983
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESNC(=O)C1=CC=CN(CCO)C1S
InChIInChI=1S/C8H12N2O2S/c9-7(12)6-2-1-3-10(4-5-11)8(6)13/h1-3,8,11,13H,4-5H2,(H2,9,12)
InChIKeyWDJUAUKNCAERMY-UHFFFAOYSA-N
XLogP-0.52
TPSA66.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-hydroxypropyl)-2H-pyridine-3-carboxamide
CID 21881588
1-(2-hydroxyethyl)-2H-pyridine-3-carboxamide
CID 21881597
N,N-bis(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 88537359
1-(2-Hydroxyethyl)-2-oxopyridine-3-carboxamide
CID 89857978
1-propyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330968
1-(2,3-dihydroxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330969
1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330970
N,N-bis(2-hydroxyethyl)-2-sulfanyl-1,2-dihydropyridine-3-carboxamide
CID 141330972
1-(3-ethoxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330978
1-(3-hydroxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330981
1-(3-methoxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330986
1-ethyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330990

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide (CID 141330983) is 1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide is NC(=O)C1=CC=CN(CCO)C1S.
What is the InChIKey of 1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide?
The InChIKey is WDJUAUKNCAERMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c9-7(12)6-2-1-3-10(4-5-11)8(6)13/h1-3,8,11,13H,4-5H2,(H2,9,12).
What are the key properties of 1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide?
1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide has a molecular weight of 200.26 g/mol, XLogP of -0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide is sourced from PubChem (CID 141330983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).