N-(piperidine-1-carbothioyl)pyridine-3-carboxamide

C12H15N3OS — CID 827107

IUPACN-(piperidine-1-carbothioyl)pyridine-3-carboxamide
SMILESO=C(NC(=S)N1CCCCC1)c1cccnc1
InChIInChI=1S/C12H15N3OS/c16-11(10-5-4-6-13-9-10)14-12(17)15-7-2-1-3-8-15/h4-6,9H,1-3,7-8H2,(H,14,16,17)
InChIKeyAZPYUTTUFFOFQX-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.58
Rot. Bonds1

About N-(piperidine-1-carbothioyl)pyridine-3-carboxamide

N-(piperidine-1-carbothioyl)pyridine-3-carboxamide (PubChem CID 827107) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-(piperidine-1-carbothioyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(piperidine-1-carbothioyl)pyridine-3-carboxamide
PubChem CID827107
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-(piperidine-1-carbothioyl)pyridine-3-carboxamide
SMILESO=C(NC(=S)N1CCCCC1)c1cccnc1
InChIInChI=1S/C12H15N3OS/c16-11(10-5-4-6-13-9-10)14-12(17)15-7-2-1-3-8-15/h4-6,9H,1-3,7-8H2,(H,14,16,17)
InChIKeyAZPYUTTUFFOFQX-UHFFFAOYSA-N
XLogP1.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(piperidine-1-carbothioyl)pyridine-3-carboxamide?
The IUPAC name of N-(piperidine-1-carbothioyl)pyridine-3-carboxamide (CID 827107) is N-(piperidine-1-carbothioyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(piperidine-1-carbothioyl)pyridine-3-carboxamide?
The canonical SMILES for N-(piperidine-1-carbothioyl)pyridine-3-carboxamide is O=C(NC(=S)N1CCCCC1)c1cccnc1.
What is the InChIKey of N-(piperidine-1-carbothioyl)pyridine-3-carboxamide?
The InChIKey is AZPYUTTUFFOFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c16-11(10-5-4-6-13-9-10)14-12(17)15-7-2-1-3-8-15/h4-6,9H,1-3,7-8H2,(H,14,16,17).
What are the key properties of N-(piperidine-1-carbothioyl)pyridine-3-carboxamide?
N-(piperidine-1-carbothioyl)pyridine-3-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidine-1-carbothioyl)pyridine-3-carboxamide is sourced from PubChem (CID 827107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).