6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbothioamide

C13H17N3OS — CID 79181657

IUPAC6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbothioamide
SMILESCC1CN(C(=O)c2ccc(C(N)=S)cn2)CC1C
InChIInChI=1S/C13H17N3OS/c1-8-6-16(7-9(8)2)13(17)11-4-3-10(5-15-11)12(14)18/h3-5,8-9H,6-7H2,1-2H3,(H2,14,18)
InChIKeyWOOTZTANGJWDDR-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.44
Rot. Bonds2

About 6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbothioamide

6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbothioamide (PubChem CID 79181657) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbothioamide
PubChem CID79181657
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbothioamide
SMILESCC1CN(C(=O)c2ccc(C(N)=S)cn2)CC1C
InChIInChI=1S/C13H17N3OS/c1-8-6-16(7-9(8)2)13(17)11-4-3-10(5-15-11)12(14)18/h3-5,8-9H,6-7H2,1-2H3,(H2,14,18)
InChIKeyWOOTZTANGJWDDR-UHFFFAOYSA-N
XLogP1.44
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbothioamide 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-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carbothioamide
CID 102932878
4-(3,4-dimethylpyrrolidine-1-carbonyl)benzenecarbothioamide
CID 79038709
6-(2,3-dimethylpiperidine-1-carbonyl)pyridine-3-carbothioamide
CID 63748326
6-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxypyridine-3-carboximidamide
CID 81465067
6-[4-(methoxymethyl)piperidine-1-carbonyl]pyridine-3-carbothioamide
CID 63980352
6-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxypyridine-3-carboximidamide
CID 77005377
6-(3-ethoxypiperidine-1-carbonyl)pyridine-3-carbothioamide
CID 63748489
6-(2,2-dimethylmorpholine-4-carbonyl)pyridine-3-carbothioamide
CID 63723243
6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile
CID 79036597
6-(3-propoxypiperidine-1-carbonyl)pyridine-3-carbothioamide
CID 63748316
6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carbothioamide
CID 63724580
methyl 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyridine-3-carboxylate
CID 31703991

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbothioamide?
The IUPAC name of 6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbothioamide (CID 79181657) is 6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbothioamide.
What is the SMILES notation for 6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbothioamide?
The canonical SMILES for 6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbothioamide is CC1CN(C(=O)c2ccc(C(N)=S)cn2)CC1C.
What is the InChIKey of 6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbothioamide?
The InChIKey is WOOTZTANGJWDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-8-6-16(7-9(8)2)13(17)11-4-3-10(5-15-11)12(14)18/h3-5,8-9H,6-7H2,1-2H3,(H2,14,18).
What are the key properties of 6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbothioamide?
6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbothioamide has a molecular weight of 263.37 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbothioamide is sourced from PubChem (CID 79181657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).