N-(1-carbamothioyl-4-methylcyclohexyl)pyridine-3-carboxamide

C14H19N3OS — CID 61120552

IUPACN-(1-carbamothioyl-4-methylcyclohexyl)pyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2cccnc2)(C(N)=S)CC1
InChIInChI=1S/C14H19N3OS/c1-10-4-6-14(7-5-10,13(15)19)17-12(18)11-3-2-8-16-9-11/h2-3,8-10H,4-7H2,1H3,(H2,15,19)(H,17,18)
InChIKeyWUXQMJJMXFRLNW-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.05
Rot. Bonds3

About N-(1-carbamothioyl-4-methylcyclohexyl)pyridine-3-carboxamide

N-(1-carbamothioyl-4-methylcyclohexyl)pyridine-3-carboxamide (PubChem CID 61120552) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(1-carbamothioyl-4-methylcyclohexyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-carbamothioyl-4-methylcyclohexyl)pyridine-3-carboxamide
PubChem CID61120552
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-(1-carbamothioyl-4-methylcyclohexyl)pyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2cccnc2)(C(N)=S)CC1
InChIInChI=1S/C14H19N3OS/c1-10-4-6-14(7-5-10,13(15)19)17-12(18)11-3-2-8-16-9-11/h2-3,8-10H,4-7H2,1H3,(H2,15,19)(H,17,18)
InChIKeyWUXQMJJMXFRLNW-UHFFFAOYSA-N
XLogP2.05
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.05
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

N-(1-carbamothioyl-4-methylcyclohexyl)-3-fluoropyridine-4-carboxamide
CID 64949883
N-(1-carbamothioyl-4-methylcyclohexyl)-5-fluoropyridine-3-carboxamide
CID 104785855
3-bromo-N-(1-carbamothioyl-4-methylcyclohexyl)benzamide
CID 61121742
N-(1-carbamothioyl-4-methylcyclohexyl)-4-ethylbenzamide
CID 61121732
N-(1-carbamothioyl-4-methylcyclohexyl)-3-methylimidazole-4-carboxamide
CID 103510980
2-bromo-N-(1-carbamothioyl-4-methylcyclohexyl)furan-3-carboxamide
CID 106852171
N-(1-carbamothioyl-4-ethylcyclohexyl)benzamide
CID 61121408
3-bromo-N-(1-carbamothioyl-4-methylcyclohexyl)-5-methylbenzamide
CID 104851555
5-bromo-N-(1-carbamothioyl-4-methylcyclohexyl)-2-methylbenzamide
CID 65307904
N-[(4-methylcyclohexylidene)amino]pyridine-3-carboxamide
CID 4124153
N-(1-carbamothioyl-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810478
3-chloro-N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]pyridine-4-carboxamide
CID 77135272

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioyl-4-methylcyclohexyl)pyridine-3-carboxamide?
The IUPAC name of N-(1-carbamothioyl-4-methylcyclohexyl)pyridine-3-carboxamide (CID 61120552) is N-(1-carbamothioyl-4-methylcyclohexyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-carbamothioyl-4-methylcyclohexyl)pyridine-3-carboxamide?
The canonical SMILES for N-(1-carbamothioyl-4-methylcyclohexyl)pyridine-3-carboxamide is CC1CCC(NC(=O)c2cccnc2)(C(N)=S)CC1.
What is the InChIKey of N-(1-carbamothioyl-4-methylcyclohexyl)pyridine-3-carboxamide?
The InChIKey is WUXQMJJMXFRLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10-4-6-14(7-5-10,13(15)19)17-12(18)11-3-2-8-16-9-11/h2-3,8-10H,4-7H2,1H3,(H2,15,19)(H,17,18).
What are the key properties of N-(1-carbamothioyl-4-methylcyclohexyl)pyridine-3-carboxamide?
N-(1-carbamothioyl-4-methylcyclohexyl)pyridine-3-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioyl-4-methylcyclohexyl)pyridine-3-carboxamide is sourced from PubChem (CID 61120552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).