4-[cyclopentyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide

C17H27N3S — CID 81035477

IUPAC4-[cyclopentyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide
SMILESCc1cc(N(CC(C)C)C2CCCC2)c(C(N)=S)c(C)n1
InChIInChI=1S/C17H27N3S/c1-11(2)10-20(14-7-5-6-8-14)15-9-12(3)19-13(4)16(15)17(18)21/h9,11,14H,5-8,10H2,1-4H3,(H2,18,21)
InChIKeyCMGMNMQGWQPBRQ-UHFFFAOYSA-N
MW305.49 g/mol
LogP3.74
Rot. Bonds5

About 4-[cyclopentyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide

4-[cyclopentyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide (PubChem CID 81035477) has the molecular formula C17H27N3S and a molecular weight of 305.49 g/mol. Its IUPAC name is 4-[cyclopentyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide.

Molecular Properties

Compound Name4-[cyclopentyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide
PubChem CID81035477
Molecular FormulaC17H27N3S
Molecular Weight305.49 g/mol
Exact Mass305.19
IUPAC Name4-[cyclopentyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide
SMILESCc1cc(N(CC(C)C)C2CCCC2)c(C(N)=S)c(C)n1
InChIInChI=1S/C17H27N3S/c1-11(2)10-20(14-7-5-6-8-14)15-9-12(3)19-13(4)16(15)17(18)21/h9,11,14H,5-8,10H2,1-4H3,(H2,18,21)
InChIKeyCMGMNMQGWQPBRQ-UHFFFAOYSA-N
XLogP3.74
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[cyclopentyl(2-methylpropyl)amino]-2,6-dimethylpyridine-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

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide?
The IUPAC name of 4-[cyclopentyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide (CID 81035477) is 4-[cyclopentyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide.
What is the SMILES notation for 4-[cyclopentyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide?
The canonical SMILES for 4-[cyclopentyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide is Cc1cc(N(CC(C)C)C2CCCC2)c(C(N)=S)c(C)n1.
What is the InChIKey of 4-[cyclopentyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide?
The InChIKey is CMGMNMQGWQPBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3S/c1-11(2)10-20(14-7-5-6-8-14)15-9-12(3)19-13(4)16(15)17(18)21/h9,11,14H,5-8,10H2,1-4H3,(H2,18,21).
What are the key properties of 4-[cyclopentyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide?
4-[cyclopentyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide has a molecular weight of 305.49 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide is sourced from PubChem (CID 81035477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).