1-(1,3-dihydroxypropan-2-yl)-2-sulfanyl-2H-pyridine-3-carboxamide

C9H14N2O3S — CID 141330993

IUPAC1-(1,3-dihydroxypropan-2-yl)-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESNC(=O)C1=CC=CN(C(CO)CO)C1S
InChIInChI=1S/C9H14N2O3S/c10-8(14)7-2-1-3-11(9(7)15)6(4-12)5-13/h1-3,6,9,12-13,15H,4-5H2,(H2,10,14)
InChIKeyKAULYPALXWDXMU-UHFFFAOYSA-N
MW230.29 g/mol
LogP-1.16
Rot. Bonds4

About 1-(1,3-dihydroxypropan-2-yl)-2-sulfanyl-2H-pyridine-3-carboxamide

1-(1,3-dihydroxypropan-2-yl)-2-sulfanyl-2H-pyridine-3-carboxamide (PubChem CID 141330993) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 1-(1,3-dihydroxypropan-2-yl)-2-sulfanyl-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-dihydroxypropan-2-yl)-2-sulfanyl-2H-pyridine-3-carboxamide
PubChem CID141330993
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name1-(1,3-dihydroxypropan-2-yl)-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESNC(=O)C1=CC=CN(C(CO)CO)C1S
InChIInChI=1S/C9H14N2O3S/c10-8(14)7-2-1-3-11(9(7)15)6(4-12)5-13/h1-3,6,9,12-13,15H,4-5H2,(H2,10,14)
InChIKeyKAULYPALXWDXMU-UHFFFAOYSA-N
XLogP-1.16
TPSA86.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(1,3-dihydroxypropan-2-yl)-2-sulfanyl-2H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-hydroxyethyl)-2H-pyridine-3-carboxamide
CID 21881597
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-hydroxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330981
1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330983
N-ethyl-1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330995
1-(1,3-Dihydroxypropan-2-yl)-2-sulfanylidenepyridine-3-carboxamide
CID 146452043
1-(2-Hydroxyethyl)-2-sulfanylidenepyridine-3-carboxamide
CID 146452050

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroxypropan-2-yl)-2-sulfanyl-2H-pyridine-3-carboxamide?
The IUPAC name of 1-(1,3-dihydroxypropan-2-yl)-2-sulfanyl-2H-pyridine-3-carboxamide (CID 141330993) is 1-(1,3-dihydroxypropan-2-yl)-2-sulfanyl-2H-pyridine-3-carboxamide.
What is the SMILES notation for 1-(1,3-dihydroxypropan-2-yl)-2-sulfanyl-2H-pyridine-3-carboxamide?
The canonical SMILES for 1-(1,3-dihydroxypropan-2-yl)-2-sulfanyl-2H-pyridine-3-carboxamide is NC(=O)C1=CC=CN(C(CO)CO)C1S.
What is the InChIKey of 1-(1,3-dihydroxypropan-2-yl)-2-sulfanyl-2H-pyridine-3-carboxamide?
The InChIKey is KAULYPALXWDXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c10-8(14)7-2-1-3-11(9(7)15)6(4-12)5-13/h1-3,6,9,12-13,15H,4-5H2,(H2,10,14).
What are the key properties of 1-(1,3-dihydroxypropan-2-yl)-2-sulfanyl-2H-pyridine-3-carboxamide?
1-(1,3-dihydroxypropan-2-yl)-2-sulfanyl-2H-pyridine-3-carboxamide has a molecular weight of 230.29 g/mol, XLogP of -1.16, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroxypropan-2-yl)-2-sulfanyl-2H-pyridine-3-carboxamide is sourced from PubChem (CID 141330993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).