2,6-dimethyl-4-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carbothioamide

C12H16N4OS — CID 106189265

IUPAC2,6-dimethyl-4-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carbothioamide
SMILESCc1cc(NC2CNC(=O)C2)c(C(N)=S)c(C)n1
InChIInChI=1S/C12H16N4OS/c1-6-3-9(11(12(13)18)7(2)15-6)16-8-4-10(17)14-5-8/h3,8H,4-5H2,1-2H3,(H2,13,18)(H,14,17)(H,15,16)
InChIKeySFPUOBVPDLGRRV-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.63
Rot. Bonds3

About 2,6-dimethyl-4-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carbothioamide

2,6-dimethyl-4-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carbothioamide (PubChem CID 106189265) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name2,6-dimethyl-4-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carbothioamide
PubChem CID106189265
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name2,6-dimethyl-4-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carbothioamide
SMILESCc1cc(NC2CNC(=O)C2)c(C(N)=S)c(C)n1
InChIInChI=1S/C12H16N4OS/c1-6-3-9(11(12(13)18)7(2)15-6)16-8-4-10(17)14-5-8/h3,8H,4-5H2,1-2H3,(H2,13,18)(H,14,17)(H,15,16)
InChIKeySFPUOBVPDLGRRV-UHFFFAOYSA-N
XLogP0.63
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopropylamino)-2,6-dimethylpyridine-3-carbothioamide
CID 81061276
4-(cyclopentylamino)-2,6-dimethylpyridine-3-carbothioamide
CID 81059850
4-(cycloheptylamino)-2,6-dimethylpyridine-3-carbothioamide
CID 81054190
4-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrolidin-2-one
CID 103952534
5-fluoro-2-[(5-oxopyrrolidin-3-yl)amino]benzenecarbothioamide
CID 106189261
4-(ethylamino)-2,6-dimethylpyridine-3-carbothioamide
CID 81060050
4-(4-amino-2-bromo-5-methylanilino)pyrrolidin-2-one
CID 106183183
4-(4-amino-2-methylanilino)pyrrolidin-2-one
CID 106183059
cis-(1R,3S)-3-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 106322444
4-[(3-methylpyrazin-2-yl)amino]pyrrolidin-2-one
CID 106191914
4-anilino-2,6-dimethylpyridine-3-carbothioamide
CID 81060687
2-amino-6-methyl-N-(5-oxopyrrolidin-3-yl)pyridine-4-carboxamide
CID 106197815

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carbothioamide?
The IUPAC name of 2,6-dimethyl-4-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carbothioamide (CID 106189265) is 2,6-dimethyl-4-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carbothioamide.
What is the SMILES notation for 2,6-dimethyl-4-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carbothioamide?
The canonical SMILES for 2,6-dimethyl-4-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carbothioamide is Cc1cc(NC2CNC(=O)C2)c(C(N)=S)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carbothioamide?
The InChIKey is SFPUOBVPDLGRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-6-3-9(11(12(13)18)7(2)15-6)16-8-4-10(17)14-5-8/h3,8H,4-5H2,1-2H3,(H2,13,18)(H,14,17)(H,15,16).
What are the key properties of 2,6-dimethyl-4-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carbothioamide?
2,6-dimethyl-4-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carbothioamide has a molecular weight of 264.35 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carbothioamide is sourced from PubChem (CID 106189265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).