N-(2-carbamothioylcyclopentyl)-3-hydroxypyridine-4-carboxamide

C12H15N3O2S — CID 81446340

IUPACN-(2-carbamothioylcyclopentyl)-3-hydroxypyridine-4-carboxamide
SMILESNC(=S)C1CCCC1NC(=O)c1ccncc1O
InChIInChI=1S/C12H15N3O2S/c13-11(18)7-2-1-3-9(7)15-12(17)8-4-5-14-6-10(8)16/h4-7,9,16H,1-3H2,(H2,13,18)(H,15,17)
InChIKeyFEEDBHUGWANQBE-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.97
Rot. Bonds3

About N-(2-carbamothioylcyclopentyl)-3-hydroxypyridine-4-carboxamide

N-(2-carbamothioylcyclopentyl)-3-hydroxypyridine-4-carboxamide (PubChem CID 81446340) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-(2-carbamothioylcyclopentyl)-3-hydroxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-carbamothioylcyclopentyl)-3-hydroxypyridine-4-carboxamide
PubChem CID81446340
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-(2-carbamothioylcyclopentyl)-3-hydroxypyridine-4-carboxamide
SMILESNC(=S)C1CCCC1NC(=O)c1ccncc1O
InChIInChI=1S/C12H15N3O2S/c13-11(18)7-2-1-3-9(7)15-12(17)8-4-5-14-6-10(8)16/h4-7,9,16H,1-3H2,(H2,13,18)(H,15,17)
InChIKeyFEEDBHUGWANQBE-UHFFFAOYSA-N
XLogP0.97
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.97
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

3-hydroxy-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]pyridine-4-carboxamide
CID 81442465
N-(2-carbamothioylcyclopentyl)-3-hydroxy-2-methylbenzamide
CID 82829545
N-(2-ethylcyclohexyl)-3-hydroxypyridine-4-carboxamide
CID 81443584
N-(2-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103117980
5-bromo-N-(2-carbamothioylcyclopentyl)-2-hydroxybenzamide
CID 107729610
N-(2-carbamothioylcyclopentyl)pyridine-2-carboxamide
CID 55152154
2,4-dibromo-N-(2-carbamothioylcyclopentyl)benzamide
CID 107938989
N-(2-carbamothioylcyclopentyl)-2,5-dimethylbenzamide
CID 62955535
N-(2-carbamothioylcyclopentyl)-5-methylfuran-2-carboxamide
CID 62956749
3-bromo-N-(2-carbamothioylcyclopentyl)-2-fluorobenzamide
CID 107951219
N-cyclopentyloxy-3-hydroxypyridine-4-carboxamide
CID 83218037
N-(3-aminocyclobutyl)-3-hydroxypyridine-4-carboxamide
CID 81442624

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylcyclopentyl)-3-hydroxypyridine-4-carboxamide?
The IUPAC name of N-(2-carbamothioylcyclopentyl)-3-hydroxypyridine-4-carboxamide (CID 81446340) is N-(2-carbamothioylcyclopentyl)-3-hydroxypyridine-4-carboxamide.
What is the SMILES notation for N-(2-carbamothioylcyclopentyl)-3-hydroxypyridine-4-carboxamide?
The canonical SMILES for N-(2-carbamothioylcyclopentyl)-3-hydroxypyridine-4-carboxamide is NC(=S)C1CCCC1NC(=O)c1ccncc1O.
What is the InChIKey of N-(2-carbamothioylcyclopentyl)-3-hydroxypyridine-4-carboxamide?
The InChIKey is FEEDBHUGWANQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c13-11(18)7-2-1-3-9(7)15-12(17)8-4-5-14-6-10(8)16/h4-7,9,16H,1-3H2,(H2,13,18)(H,15,17).
What are the key properties of N-(2-carbamothioylcyclopentyl)-3-hydroxypyridine-4-carboxamide?
N-(2-carbamothioylcyclopentyl)-3-hydroxypyridine-4-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylcyclopentyl)-3-hydroxypyridine-4-carboxamide is sourced from PubChem (CID 81446340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).