N-(2-carbamothioylcyclopentyl)pyridine-2-carboxamide

C12H15N3OS — CID 55152154

IUPACN-(2-carbamothioylcyclopentyl)pyridine-2-carboxamide
SMILESNC(=S)C1CCCC1NC(=O)c1ccccn1
InChIInChI=1S/C12H15N3OS/c13-11(17)8-4-3-6-9(8)15-12(16)10-5-1-2-7-14-10/h1-2,5,7-9H,3-4,6H2,(H2,13,17)(H,15,16)
InChIKeyNMLFTBXNYHYPKQ-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.27
Rot. Bonds3

About N-(2-carbamothioylcyclopentyl)pyridine-2-carboxamide

N-(2-carbamothioylcyclopentyl)pyridine-2-carboxamide (PubChem CID 55152154) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-(2-carbamothioylcyclopentyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-carbamothioylcyclopentyl)pyridine-2-carboxamide
PubChem CID55152154
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-(2-carbamothioylcyclopentyl)pyridine-2-carboxamide
SMILESNC(=S)C1CCCC1NC(=O)c1ccccn1
InChIInChI=1S/C12H15N3OS/c13-11(17)8-4-3-6-9(8)15-12(16)10-5-1-2-7-14-10/h1-2,5,7-9H,3-4,6H2,(H2,13,17)(H,15,16)
InChIKeyNMLFTBXNYHYPKQ-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
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-(2-carbamothioylcyclopentyl)-2,6-dichlorobenzamide
CID 62956929
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]pyridine-2-carboxamide
CID 11919862
N-(2-carbamothioylcyclopentyl)-3-hydroxy-2-methylbenzamide
CID 82829545
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
N-(2-carbamothioylcyclopentyl)-3-hydroxypyridine-4-carboxamide
CID 81446340
N-(2-carbamothioylcyclopentyl)-2-chloro-6-fluorobenzamide
CID 55151966
N-[(1S,2S)-2-carbamoylcyclohexyl]-5-chloropyridine-2-carboxamide
CID 96528381
N-(2-carbamothioylcyclopentyl)-3-fluorobenzamide
CID 62956397
N-(3-cyclopropylcyclohexyl)pyridine-2-carboxamide
CID 171511790
1-[(1R,2S)-2-methylcyclohexyl]-3-(pyridine-2-carbonylamino)thiourea
CID 8656598
tert-butyl N-[2-(pyridine-2-carbonylamino)cyclohexyl]carbamate
CID 22986749
N-(2-carbamothioylcyclopentyl)-5-methylfuran-2-carboxamide
CID 62956749

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylcyclopentyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-carbamothioylcyclopentyl)pyridine-2-carboxamide (CID 55152154) is N-(2-carbamothioylcyclopentyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-carbamothioylcyclopentyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-carbamothioylcyclopentyl)pyridine-2-carboxamide is NC(=S)C1CCCC1NC(=O)c1ccccn1.
What is the InChIKey of N-(2-carbamothioylcyclopentyl)pyridine-2-carboxamide?
The InChIKey is NMLFTBXNYHYPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c13-11(17)8-4-3-6-9(8)15-12(16)10-5-1-2-7-14-10/h1-2,5,7-9H,3-4,6H2,(H2,13,17)(H,15,16).
What are the key properties of N-(2-carbamothioylcyclopentyl)pyridine-2-carboxamide?
N-(2-carbamothioylcyclopentyl)pyridine-2-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylcyclopentyl)pyridine-2-carboxamide is sourced from PubChem (CID 55152154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).