5-carbamothioyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide

C14H19N3OS — CID 55229060

IUPAC5-carbamothioyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide
SMILESCC1CCC(NC(=O)c2ccc(C(N)=S)cn2)CC1
InChIInChI=1S/C14H19N3OS/c1-9-2-5-11(6-3-9)17-14(18)12-7-4-10(8-16-12)13(15)19/h4,7-9,11H,2-3,5-6H2,1H3,(H2,15,19)(H,17,18)
InChIKeyZRGHCKNNQVLJBW-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.02
Rot. Bonds3

About 5-carbamothioyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide

5-carbamothioyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide (PubChem CID 55229060) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 5-carbamothioyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-carbamothioyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide
PubChem CID55229060
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name5-carbamothioyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide
SMILESCC1CCC(NC(=O)c2ccc(C(N)=S)cn2)CC1
InChIInChI=1S/C14H19N3OS/c1-9-2-5-11(6-3-9)17-14(18)12-7-4-10(8-16-12)13(15)19/h4,7-9,11H,2-3,5-6H2,1H3,(H2,15,19)(H,17,18)
InChIKeyZRGHCKNNQVLJBW-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
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-cyclopentylpyridine-2-carboxamide
CID 55230781
5-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide
CID 107854445
5-(ethylamino)-N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 104639829
2-N,5-N-dicyclohexylpyridine-2,5-dicarboxamide
CID 5195107
6-[(3-methylcyclopentyl)amino]pyridine-3-carbothioamide
CID 114546660
methyl 6-(cyclopentylcarbamoyl)pyridine-3-carboxylate
CID 31939115
5-carbamothioyl-N-(2-cyclopentylethyl)pyridine-2-carboxamide
CID 55230785
N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 24633709
N-(4-ethylcyclohexyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005388
5-hydrazinyl-N-(3-methylcyclopentyl)pyridine-2-carboxamide
CID 114541026
N-(4-methylcyclohexyl)isoquinoline-3-carboxamide
CID 22136395
5-carbamothioyl-N-heptan-2-ylpyridine-2-carboxamide
CID 63750456

Frequently Asked Questions

What is the IUPAC name of 5-carbamothioyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide?
The IUPAC name of 5-carbamothioyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide (CID 55229060) is 5-carbamothioyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-carbamothioyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide?
The canonical SMILES for 5-carbamothioyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide is CC1CCC(NC(=O)c2ccc(C(N)=S)cn2)CC1.
What is the InChIKey of 5-carbamothioyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide?
The InChIKey is ZRGHCKNNQVLJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-9-2-5-11(6-3-9)17-14(18)12-7-4-10(8-16-12)13(15)19/h4,7-9,11H,2-3,5-6H2,1H3,(H2,15,19)(H,17,18).
What are the key properties of 5-carbamothioyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide?
5-carbamothioyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamothioyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide is sourced from PubChem (CID 55229060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).