2-methyl-6-(2-methylpyrrolidin-1-yl)pyridine-4-carbothioamide

C12H17N3S — CID 114767295

IUPAC2-methyl-6-(2-methylpyrrolidin-1-yl)pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(N2CCCC2C)n1
InChIInChI=1S/C12H17N3S/c1-8-6-10(12(13)16)7-11(14-8)15-5-3-4-9(15)2/h6-7,9H,3-5H2,1-2H3,(H2,13,16)
InChIKeyWPMHGTPFFIYANS-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.01
Rot. Bonds2

About 2-methyl-6-(2-methylpyrrolidin-1-yl)pyridine-4-carbothioamide

2-methyl-6-(2-methylpyrrolidin-1-yl)pyridine-4-carbothioamide (PubChem CID 114767295) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 2-methyl-6-(2-methylpyrrolidin-1-yl)pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-methyl-6-(2-methylpyrrolidin-1-yl)pyridine-4-carbothioamide
PubChem CID114767295
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name2-methyl-6-(2-methylpyrrolidin-1-yl)pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(N2CCCC2C)n1
InChIInChI=1S/C12H17N3S/c1-8-6-10(12(13)16)7-11(14-8)15-5-3-4-9(15)2/h6-7,9H,3-5H2,1-2H3,(H2,13,16)
InChIKeyWPMHGTPFFIYANS-UHFFFAOYSA-N
XLogP2.01
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-(2-methylpyrrolidin-1-yl)pyridine-4-carboximidamide
CID 114768904
2-(2,4-dimethylpyrrolidin-1-yl)-6-methylpyridine-4-carbothioamide
CID 114768007
2-(3-hydroxypiperidin-1-yl)-6-methylpyridine-4-carbothioamide
CID 114767338
2-methyl-6-(4-propan-2-ylazepan-1-yl)pyridine-4-carbothioamide
CID 114767724
2-[3-(hydroxymethyl)piperidin-1-yl]-6-methylpyridine-4-carbothioamide
CID 114767266
4,6-dimethyl-2-(2-methylpiperidin-1-yl)pyridine-3-carbothioamide
CID 61177475
2-chloro-6-(2-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 60973947
2-(2,4-dimethyl-1,4-diazepan-1-yl)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 136726380
3-chloro-4-(2-methylpyrrolidin-1-yl)benzenecarbothioamide
CID 63086947
2-(2,4-dimethylpiperidin-1-yl)-6-methylpyridine-4-carboxylic acid
CID 113378624
1-[4-methyl-6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-3-propan-2-ylthiourea
CID 125048132
2-(3,5-dimethylpyrazol-1-yl)-6-methylpyridine-4-carbothioamide
CID 114768027

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylpyrrolidin-1-yl)pyridine-4-carbothioamide?
The IUPAC name of 2-methyl-6-(2-methylpyrrolidin-1-yl)pyridine-4-carbothioamide (CID 114767295) is 2-methyl-6-(2-methylpyrrolidin-1-yl)pyridine-4-carbothioamide.
What is the SMILES notation for 2-methyl-6-(2-methylpyrrolidin-1-yl)pyridine-4-carbothioamide?
The canonical SMILES for 2-methyl-6-(2-methylpyrrolidin-1-yl)pyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(N2CCCC2C)n1.
What is the InChIKey of 2-methyl-6-(2-methylpyrrolidin-1-yl)pyridine-4-carbothioamide?
The InChIKey is WPMHGTPFFIYANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-8-6-10(12(13)16)7-11(14-8)15-5-3-4-9(15)2/h6-7,9H,3-5H2,1-2H3,(H2,13,16).
What are the key properties of 2-methyl-6-(2-methylpyrrolidin-1-yl)pyridine-4-carbothioamide?
2-methyl-6-(2-methylpyrrolidin-1-yl)pyridine-4-carbothioamide has a molecular weight of 235.36 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylpyrrolidin-1-yl)pyridine-4-carbothioamide is sourced from PubChem (CID 114767295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).