5-carbamothioyl-N-cyclopentylpyridine-2-carboxamide

C12H15N3OS — CID 55230781

IUPAC5-carbamothioyl-N-cyclopentylpyridine-2-carboxamide
SMILESNC(=S)c1ccc(C(=O)NC2CCCC2)nc1
InChIInChI=1S/C12H15N3OS/c13-11(17)8-5-6-10(14-7-8)12(16)15-9-3-1-2-4-9/h5-7,9H,1-4H2,(H2,13,17)(H,15,16)
InChIKeyYWMSLMGVWAADFO-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.39
Rot. Bonds3

About 5-carbamothioyl-N-cyclopentylpyridine-2-carboxamide

5-carbamothioyl-N-cyclopentylpyridine-2-carboxamide (PubChem CID 55230781) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 5-carbamothioyl-N-cyclopentylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-carbamothioyl-N-cyclopentylpyridine-2-carboxamide
PubChem CID55230781
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name5-carbamothioyl-N-cyclopentylpyridine-2-carboxamide
SMILESNC(=S)c1ccc(C(=O)NC2CCCC2)nc1
InChIInChI=1S/C12H15N3OS/c13-11(17)8-5-6-10(14-7-8)12(16)15-9-3-1-2-4-9/h5-7,9H,1-4H2,(H2,13,17)(H,15,16)
InChIKeyYWMSLMGVWAADFO-UHFFFAOYSA-N
XLogP1.39
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-carbamothioyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 55229060
2-N,5-N-dicyclohexylpyridine-2,5-dicarboxamide
CID 5195107
5-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide
CID 107854445
5-carbamothioyl-N-(2-cyclopentylethyl)pyridine-2-carboxamide
CID 55230785
methyl 6-(cyclopentylcarbamoyl)pyridine-3-carboxylate
CID 31939115
N-cyclohexyl-5-[(cyclohexylamino)-cyclopropylidenemethyl]pyridine-2-carboxamide
CID 70888296
5-(cyclooctylcarbamoyl)pyridine-2-carboxylic acid
CID 43414727
5-carbamothioyl-N-phenylpyridine-2-carboxamide
CID 63723576
3-carbamothioyl-N-cyclopentylbenzamide
CID 24691849
N-cyclobutyl-5-methylpyridine-2-carboxamide
CID 170056265
6-chloro-N-cyclobutylpyridazine-3-carboxamide
CID 62416339
5-(cyclohexylamino)-N-cyclopropylpyridine-2-carboxamide
CID 109179840

Frequently Asked Questions

What is the IUPAC name of 5-carbamothioyl-N-cyclopentylpyridine-2-carboxamide?
The IUPAC name of 5-carbamothioyl-N-cyclopentylpyridine-2-carboxamide (CID 55230781) is 5-carbamothioyl-N-cyclopentylpyridine-2-carboxamide.
What is the SMILES notation for 5-carbamothioyl-N-cyclopentylpyridine-2-carboxamide?
The canonical SMILES for 5-carbamothioyl-N-cyclopentylpyridine-2-carboxamide is NC(=S)c1ccc(C(=O)NC2CCCC2)nc1.
What is the InChIKey of 5-carbamothioyl-N-cyclopentylpyridine-2-carboxamide?
The InChIKey is YWMSLMGVWAADFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c13-11(17)8-5-6-10(14-7-8)12(16)15-9-3-1-2-4-9/h5-7,9H,1-4H2,(H2,13,17)(H,15,16).
What are the key properties of 5-carbamothioyl-N-cyclopentylpyridine-2-carboxamide?
5-carbamothioyl-N-cyclopentylpyridine-2-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamothioyl-N-cyclopentylpyridine-2-carboxamide is sourced from PubChem (CID 55230781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).