2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carbothioamide

C15H23N3OS — CID 81054789

IUPAC2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carbothioamide
SMILESCc1cc(OCC2CCCCN2C)c(C(N)=S)c(C)n1
InChIInChI=1S/C15H23N3OS/c1-10-8-13(14(15(16)20)11(2)17-10)19-9-12-6-4-5-7-18(12)3/h8,12H,4-7,9H2,1-3H3,(H2,16,20)
InChIKeyBADNZVQNPRUAIX-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.20
Rot. Bonds4

About 2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carbothioamide

2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carbothioamide (PubChem CID 81054789) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carbothioamide.

Molecular Properties

Compound Name2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carbothioamide
PubChem CID81054789
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carbothioamide
SMILESCc1cc(OCC2CCCCN2C)c(C(N)=S)c(C)n1
InChIInChI=1S/C15H23N3OS/c1-10-8-13(14(15(16)20)11(2)17-10)19-9-12-6-4-5-7-18(12)3/h8,12H,4-7,9H2,1-3H3,(H2,16,20)
InChIKeyBADNZVQNPRUAIX-UHFFFAOYSA-N
XLogP2.20
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopentylmethoxy)-2,6-dimethylpyridine-3-carbothioamide
CID 81053956
4-bromo-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarbothioamide
CID 114903767
3-bromo-4-[(1-methylpiperidin-2-yl)methoxy]benzenecarbothioamide
CID 82805149
4-[2-[cyclopropyl(methyl)amino]ethoxy]-2,6-dimethylpyridine-3-carbothioamide
CID 102740130
3-methyl-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarbothioamide
CID 107108942
5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]aniline
CID 65472061
[6-methyl-2-[(1-methylpiperidin-2-yl)methoxy]-3-pyridinyl]methanamine
CID 65471691
[2-methyl-6-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-4-yl]hydrazine
CID 80921266
N'-hydroxy-1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboximidamide
CID 77067948
4,6-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carbothioamide
CID 79314276
5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide
CID 107930849
4-(cyclopentylamino)-2,6-dimethylpyridine-3-carbothioamide
CID 81059850

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carbothioamide?
The IUPAC name of 2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carbothioamide (CID 81054789) is 2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carbothioamide.
What is the SMILES notation for 2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carbothioamide?
The canonical SMILES for 2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carbothioamide is Cc1cc(OCC2CCCCN2C)c(C(N)=S)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carbothioamide?
The InChIKey is BADNZVQNPRUAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-10-8-13(14(15(16)20)11(2)17-10)19-9-12-6-4-5-7-18(12)3/h8,12H,4-7,9H2,1-3H3,(H2,16,20).
What are the key properties of 2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carbothioamide?
2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carbothioamide has a molecular weight of 293.44 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carbothioamide is sourced from PubChem (CID 81054789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).