N-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-hydroxypyridine-4-carboxamide

C13H18N4O2S — CID 81446516

IUPACN-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-hydroxypyridine-4-carboxamide
SMILESCN1CCC(NC(=O)c2ccncc2O)(C(N)=S)CC1
InChIInChI=1S/C13H18N4O2S/c1-17-6-3-13(4-7-17,12(14)20)16-11(19)9-2-5-15-8-10(9)18/h2,5,8,18H,3-4,6-7H2,1H3,(H2,14,20)(H,16,19)
InChIKeyDATNOOJIGVFMIP-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.27
Rot. Bonds3

About N-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-hydroxypyridine-4-carboxamide

N-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-hydroxypyridine-4-carboxamide (PubChem CID 81446516) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-hydroxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-hydroxypyridine-4-carboxamide
PubChem CID81446516
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-hydroxypyridine-4-carboxamide
SMILESCN1CCC(NC(=O)c2ccncc2O)(C(N)=S)CC1
InChIInChI=1S/C13H18N4O2S/c1-17-6-3-13(4-7-17,12(14)20)16-11(19)9-2-5-15-8-10(9)18/h2,5,8,18H,3-4,6-7H2,1H3,(H2,14,20)(H,16,19)
InChIKeyDATNOOJIGVFMIP-UHFFFAOYSA-N
XLogP0.27
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-hydroxypyridine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-hydroxypyridine-4-carboxamide?
The IUPAC name of N-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-hydroxypyridine-4-carboxamide (CID 81446516) is N-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-hydroxypyridine-4-carboxamide.
What is the SMILES notation for N-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-hydroxypyridine-4-carboxamide?
The canonical SMILES for N-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-hydroxypyridine-4-carboxamide is CN1CCC(NC(=O)c2ccncc2O)(C(N)=S)CC1.
What is the InChIKey of N-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-hydroxypyridine-4-carboxamide?
The InChIKey is DATNOOJIGVFMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-17-6-3-13(4-7-17,12(14)20)16-11(19)9-2-5-15-8-10(9)18/h2,5,8,18H,3-4,6-7H2,1H3,(H2,14,20)(H,16,19).
What are the key properties of N-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-hydroxypyridine-4-carboxamide?
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-hydroxypyridine-4-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-hydroxypyridine-4-carboxamide is sourced from PubChem (CID 81446516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).