4,6-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carbothioamide

C15H24N4S — CID 79314276

IUPAC4,6-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carbothioamide
SMILESCc1cc(C)c(C(N)=S)c(N(C)CC2CCCN2C)n1
InChIInChI=1S/C15H24N4S/c1-10-8-11(2)17-15(13(10)14(16)20)19(4)9-12-6-5-7-18(12)3/h8,12H,5-7,9H2,1-4H3,(H2,16,20)
InChIKeyCFIOBFXMYIBQAN-UHFFFAOYSA-N
MW292.45 g/mol
LogP1.86
Rot. Bonds4

About 4,6-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carbothioamide

4,6-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carbothioamide (PubChem CID 79314276) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 4,6-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name4,6-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carbothioamide
PubChem CID79314276
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name4,6-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carbothioamide
SMILESCc1cc(C)c(C(N)=S)c(N(C)CC2CCCN2C)n1
InChIInChI=1S/C15H24N4S/c1-10-8-11(2)17-15(13(10)14(16)20)19(4)9-12-6-5-7-18(12)3/h8,12H,5-7,9H2,1-4H3,(H2,16,20)
InChIKeyCFIOBFXMYIBQAN-UHFFFAOYSA-N
XLogP1.86
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,6-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]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

[4,6-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-pyridinyl]methanol
CID 79319243
4-N,6-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 80848121
2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 76950939
4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carbothioamide
CID 79313788
5-bromo-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 80848913
2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carbothioamide
CID 81054789
5-bromo-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzenecarbothioamide
CID 114891907
2-[furan-3-ylmethyl(methyl)amino]-4,6-dimethylpyridine-3-carbothioamide
CID 61422717
4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridazin-3-amine
CID 80509123
4-N,5-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80991832
6-chloro-N,2,5-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 79314849
3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridazine-4-carbonitrile
CID 80509898

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carbothioamide?
The IUPAC name of 4,6-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carbothioamide (CID 79314276) is 4,6-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carbothioamide.
What is the SMILES notation for 4,6-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carbothioamide?
The canonical SMILES for 4,6-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carbothioamide is Cc1cc(C)c(C(N)=S)c(N(C)CC2CCCN2C)n1.
What is the InChIKey of 4,6-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carbothioamide?
The InChIKey is CFIOBFXMYIBQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-10-8-11(2)17-15(13(10)14(16)20)19(4)9-12-6-5-7-18(12)3/h8,12H,5-7,9H2,1-4H3,(H2,16,20).
What are the key properties of 4,6-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carbothioamide?
4,6-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carbothioamide has a molecular weight of 292.45 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carbothioamide is sourced from PubChem (CID 79314276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).