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'}

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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).