N-(2-methylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide

C10H14N2OS — CID 43046539

IUPACN-(2-methylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C10H14N2OS/c1-7(2)6-12-9(13)8-4-3-5-11-10(8)14/h3-5,7H,6H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyGTRGKUKIAIUIHR-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.13
Rot. Bonds3

About N-(2-methylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide

N-(2-methylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 43046539) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID43046539
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC NameN-(2-methylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C10H14N2OS/c1-7(2)6-12-9(13)8-4-3-5-11-10(8)14/h3-5,7H,6H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyGTRGKUKIAIUIHR-UHFFFAOYSA-N
XLogP2.13
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-methylpropyl)-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

Related Compounds

2-Hydroxypyridine-3-carbothioamide
CID 43165067
N-hexyl-2-sulfanyl-pyridine-3-carboxamide
CID 3002822
N-pentyl-2-sulfanylpyridine-3-carboxamide
CID 4117618
N-butyl-2-sulfanyl-pyridine-3-carboxamide
CID 4117619
N-propyl-2-sulfanyl-pyridine-3-carboxamide
CID 6096780
N-pentan-3-yl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 4847695
N-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-3-sulfanylpropanamide
CID 177680873
2-Mercaptonicotinamide
CID 4143093
2-sulfanylidene-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 18167685
3,3,3-Trifluoro-2-[(3-methyl-2-oxo-1-pyridinyl)methyl]propanethioamide
CID 103368937
1-(3-Fluoropropyl)-2-oxopyridine-3-carbothioamide
CID 107017739
1-(2-Fluoroethyl)-2-oxopyridine-3-carbothioamide
CID 107017841

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 43046539) is N-(2-methylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide is CC(C)CNC(=O)c1ccc[nH]c1=S.
What is the InChIKey of N-(2-methylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is GTRGKUKIAIUIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-7(2)6-12-9(13)8-4-3-5-11-10(8)14/h3-5,7H,6H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of N-(2-methylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-(2-methylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 210.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 43046539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).