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

C9H14N2O2S — CID 141330981

IUPAC1-(3-hydroxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESNC(=O)C1=CC=CN(CCCO)C1S
InChIInChI=1S/C9H14N2O2S/c10-8(13)7-3-1-4-11(9(7)14)5-2-6-12/h1,3-4,9,12,14H,2,5-6H2,(H2,10,13)
InChIKeyJOFSTDZNZKKTET-UHFFFAOYSA-N
MW214.29 g/mol
LogP-0.13
Rot. Bonds4

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

1-(3-hydroxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide (PubChem CID 141330981) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide
PubChem CID141330981
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name1-(3-hydroxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESNC(=O)C1=CC=CN(CCCO)C1S
InChIInChI=1S/C9H14N2O2S/c10-8(13)7-3-1-4-11(9(7)14)5-2-6-12/h1,3-4,9,12,14H,2,5-6H2,(H2,10,13)
InChIKeyJOFSTDZNZKKTET-UHFFFAOYSA-N
XLogP-0.13
TPSA66.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 5-0.13
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
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-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330983
1-(3-methoxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330986
1-ethyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330990
1-(1,3-dihydroxypropan-2-yl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330993
N-ethyl-1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330995

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide?
The IUPAC name of 1-(3-hydroxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide (CID 141330981) is 1-(3-hydroxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide.
What is the SMILES notation for 1-(3-hydroxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide?
The canonical SMILES for 1-(3-hydroxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide is NC(=O)C1=CC=CN(CCCO)C1S.
What is the InChIKey of 1-(3-hydroxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide?
The InChIKey is JOFSTDZNZKKTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c10-8(13)7-3-1-4-11(9(7)14)5-2-6-12/h1,3-4,9,12,14H,2,5-6H2,(H2,10,13).
What are the key properties of 1-(3-hydroxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide?
1-(3-hydroxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide has a molecular weight of 214.29 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide is sourced from PubChem (CID 141330981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).