N-cyclohexyl-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide

C13H18N2OS — CID 4244054

IUPACN-cyclohexyl-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCN(C(=O)c1ccc[nH]c1=S)C1CCCCC1
InChIInChI=1S/C13H18N2OS/c1-15(10-6-3-2-4-7-10)13(16)11-8-5-9-14-12(11)17/h5,8-10H,2-4,6-7H2,1H3,(H,14,17)
InChIKeyFVKWUYDFSIVZTR-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.15
Rot. Bonds2

About N-cyclohexyl-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide

N-cyclohexyl-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 4244054) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID4244054
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-cyclohexyl-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCN(C(=O)c1ccc[nH]c1=S)C1CCCCC1
InChIInChI=1S/C13H18N2OS/c1-15(10-6-3-2-4-7-10)13(16)11-8-5-9-14-12(11)17/h5,8-10H,2-4,6-7H2,1H3,(H,14,17)
InChIKeyFVKWUYDFSIVZTR-UHFFFAOYSA-N
XLogP3.15
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-N-methyl-2-sulfanylidene-1H-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

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 4244054) is N-cyclohexyl-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide is CN(C(=O)c1ccc[nH]c1=S)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is FVKWUYDFSIVZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-15(10-6-3-2-4-7-10)13(16)11-8-5-9-14-12(11)17/h5,8-10H,2-4,6-7H2,1H3,(H,14,17).
What are the key properties of N-cyclohexyl-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-cyclohexyl-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 250.37 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 4244054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).