6-(2,3-dimethylpiperidine-1-carbonyl)pyridine-3-carbothioamide

C14H19N3OS — CID 63748326

IUPAC6-(2,3-dimethylpiperidine-1-carbonyl)pyridine-3-carbothioamide
SMILESCC1CCCN(C(=O)c2ccc(C(N)=S)cn2)C1C
InChIInChI=1S/C14H19N3OS/c1-9-4-3-7-17(10(9)2)14(18)12-6-5-11(8-16-12)13(15)19/h5-6,8-10H,3-4,7H2,1-2H3,(H2,15,19)
InChIKeyGNRGWQPBQMLWSW-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.98
Rot. Bonds2

About 6-(2,3-dimethylpiperidine-1-carbonyl)pyridine-3-carbothioamide

6-(2,3-dimethylpiperidine-1-carbonyl)pyridine-3-carbothioamide (PubChem CID 63748326) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 6-(2,3-dimethylpiperidine-1-carbonyl)pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-(2,3-dimethylpiperidine-1-carbonyl)pyridine-3-carbothioamide
PubChem CID63748326
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name6-(2,3-dimethylpiperidine-1-carbonyl)pyridine-3-carbothioamide
SMILESCC1CCCN(C(=O)c2ccc(C(N)=S)cn2)C1C
InChIInChI=1S/C14H19N3OS/c1-9-4-3-7-17(10(9)2)14(18)12-6-5-11(8-16-12)13(15)19/h5-6,8-10H,3-4,7H2,1-2H3,(H2,15,19)
InChIKeyGNRGWQPBQMLWSW-UHFFFAOYSA-N
XLogP1.98
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.98
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

6-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbothioamide
CID 63747788
6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbothioamide
CID 79181657
(6-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 66465121
N'-hydroxy-6-(2-methylpyrrolidine-1-carbonyl)pyridine-3-carboximidamide
CID 77005324
5-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]pyridine-2-carboxamide
CID 124592813
[6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1222984
2-(2,3-dimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122056228
6-(3-ethoxypiperidine-1-carbonyl)pyridine-3-carbothioamide
CID 63748489
6-(3-propoxypiperidine-1-carbonyl)pyridine-3-carbothioamide
CID 63748316
6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carbothioamide
CID 63724580
6-[4-(methoxymethyl)piperidine-1-carbonyl]pyridine-3-carbothioamide
CID 63980352
1-(5-carbamoylpyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 119137717

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylpiperidine-1-carbonyl)pyridine-3-carbothioamide?
The IUPAC name of 6-(2,3-dimethylpiperidine-1-carbonyl)pyridine-3-carbothioamide (CID 63748326) is 6-(2,3-dimethylpiperidine-1-carbonyl)pyridine-3-carbothioamide.
What is the SMILES notation for 6-(2,3-dimethylpiperidine-1-carbonyl)pyridine-3-carbothioamide?
The canonical SMILES for 6-(2,3-dimethylpiperidine-1-carbonyl)pyridine-3-carbothioamide is CC1CCCN(C(=O)c2ccc(C(N)=S)cn2)C1C.
What is the InChIKey of 6-(2,3-dimethylpiperidine-1-carbonyl)pyridine-3-carbothioamide?
The InChIKey is GNRGWQPBQMLWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-9-4-3-7-17(10(9)2)14(18)12-6-5-11(8-16-12)13(15)19/h5-6,8-10H,3-4,7H2,1-2H3,(H2,15,19).
What are the key properties of 6-(2,3-dimethylpiperidine-1-carbonyl)pyridine-3-carbothioamide?
6-(2,3-dimethylpiperidine-1-carbonyl)pyridine-3-carbothioamide has a molecular weight of 277.39 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylpiperidine-1-carbonyl)pyridine-3-carbothioamide is sourced from PubChem (CID 63748326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).