5-carbamothioyl-N-(3-methylpentan-3-yl)pyridine-2-carboxamide

C13H19N3OS — CID 106329081

IUPAC5-carbamothioyl-N-(3-methylpentan-3-yl)pyridine-2-carboxamide
SMILESCCC(C)(CC)NC(=O)c1ccc(C(N)=S)cn1
InChIInChI=1S/C13H19N3OS/c1-4-13(3,5-2)16-12(17)10-7-6-9(8-15-10)11(14)18/h6-8H,4-5H2,1-3H3,(H2,14,18)(H,16,17)
InChIKeyLGDNMQLRPJUSKN-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.02
Rot. Bonds5

About 5-carbamothioyl-N-(3-methylpentan-3-yl)pyridine-2-carboxamide

5-carbamothioyl-N-(3-methylpentan-3-yl)pyridine-2-carboxamide (PubChem CID 106329081) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 5-carbamothioyl-N-(3-methylpentan-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-carbamothioyl-N-(3-methylpentan-3-yl)pyridine-2-carboxamide
PubChem CID106329081
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name5-carbamothioyl-N-(3-methylpentan-3-yl)pyridine-2-carboxamide
SMILESCCC(C)(CC)NC(=O)c1ccc(C(N)=S)cn1
InChIInChI=1S/C13H19N3OS/c1-4-13(3,5-2)16-12(17)10-7-6-9(8-15-10)11(14)18/h6-8H,4-5H2,1-3H3,(H2,14,18)(H,16,17)
InChIKeyLGDNMQLRPJUSKN-UHFFFAOYSA-N
XLogP2.02
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-carbamothioyl-N-(3-methylpentan-3-yl)pyridine-2-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

6-(2-methylbutan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43427297
5-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide
CID 63749570
5-carbamothioyl-N-heptan-2-ylpyridine-2-carboxamide
CID 63750456
5-carbamothioyl-N-phenylpyridine-2-carboxamide
CID 63723576
5-amino-N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 81319675
5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-2-carboxamide
CID 64555627
5-carbamothioyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 113472815
5-carbamothioyl-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 106010055
N-(3-carbamothioylpentan-3-yl)-5-fluoropyridine-2-carboxamide
CID 104638560
N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-carbamothioylpyridine-2-carboxamide
CID 106345629
5-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 103110414
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-carbamothioylpyridine-2-carboxamide
CID 63749555

Frequently Asked Questions

What is the IUPAC name of 5-carbamothioyl-N-(3-methylpentan-3-yl)pyridine-2-carboxamide?
The IUPAC name of 5-carbamothioyl-N-(3-methylpentan-3-yl)pyridine-2-carboxamide (CID 106329081) is 5-carbamothioyl-N-(3-methylpentan-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-carbamothioyl-N-(3-methylpentan-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-carbamothioyl-N-(3-methylpentan-3-yl)pyridine-2-carboxamide is CCC(C)(CC)NC(=O)c1ccc(C(N)=S)cn1.
What is the InChIKey of 5-carbamothioyl-N-(3-methylpentan-3-yl)pyridine-2-carboxamide?
The InChIKey is LGDNMQLRPJUSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-4-13(3,5-2)16-12(17)10-7-6-9(8-15-10)11(14)18/h6-8H,4-5H2,1-3H3,(H2,14,18)(H,16,17).
What are the key properties of 5-carbamothioyl-N-(3-methylpentan-3-yl)pyridine-2-carboxamide?
5-carbamothioyl-N-(3-methylpentan-3-yl)pyridine-2-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamothioyl-N-(3-methylpentan-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 106329081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).