1-(2-carbamothioyl-4-pyridinyl)pyrrolidine-2-carboxamide

C11H14N4OS — CID 55156459

IUPAC1-(2-carbamothioyl-4-pyridinyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1ccnc(C(N)=S)c1
InChIInChI=1S/C11H14N4OS/c12-10(16)9-2-1-5-15(9)7-3-4-14-8(6-7)11(13)17/h3-4,6,9H,1-2,5H2,(H2,12,16)(H2,13,17)
InChIKeyJFMYHMRENCDZQM-UHFFFAOYSA-N
MW250.33 g/mol
LogP0.17
Rot. Bonds3

About 1-(2-carbamothioyl-4-pyridinyl)pyrrolidine-2-carboxamide

1-(2-carbamothioyl-4-pyridinyl)pyrrolidine-2-carboxamide (PubChem CID 55156459) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 1-(2-carbamothioyl-4-pyridinyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-carbamothioyl-4-pyridinyl)pyrrolidine-2-carboxamide
PubChem CID55156459
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name1-(2-carbamothioyl-4-pyridinyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1ccnc(C(N)=S)c1
InChIInChI=1S/C11H14N4OS/c12-10(16)9-2-1-5-15(9)7-3-4-14-8(6-7)11(13)17/h3-4,6,9H,1-2,5H2,(H2,12,16)(H2,13,17)
InChIKeyJFMYHMRENCDZQM-UHFFFAOYSA-N
XLogP0.17
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-carbamothioyl-4-pyridinyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-carbamoyl-4-pyridinyl)pyrrolidine-2-carboxylic acid
CID 43517516
4-[2-(hydroxymethyl)azepan-1-yl]pyridine-2-carbothioamide
CID 116634846
1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid
CID 43517695
1-(6-amino-3-pyridinyl)pyrrolidine-2-carboxamide
CID 43212069
1-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 15157503
(2S)-1-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 28822622
4-piperidin-1-ylpyridine-2-carbothioamide
CID 3002239
1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidine-2-carboxamide
CID 113295375
1-(4-fluoro-3-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 86258443
(2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 70876168
4-(4-acetylpiperazin-1-yl)pyridine-2-carbothioamide
CID 55154931
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyridine-2-carboxylic acid
CID 102726689

Frequently Asked Questions

What is the IUPAC name of 1-(2-carbamothioyl-4-pyridinyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-carbamothioyl-4-pyridinyl)pyrrolidine-2-carboxamide (CID 55156459) is 1-(2-carbamothioyl-4-pyridinyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-carbamothioyl-4-pyridinyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-carbamothioyl-4-pyridinyl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1c1ccnc(C(N)=S)c1.
What is the InChIKey of 1-(2-carbamothioyl-4-pyridinyl)pyrrolidine-2-carboxamide?
The InChIKey is JFMYHMRENCDZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c12-10(16)9-2-1-5-15(9)7-3-4-14-8(6-7)11(13)17/h3-4,6,9H,1-2,5H2,(H2,12,16)(H2,13,17).
What are the key properties of 1-(2-carbamothioyl-4-pyridinyl)pyrrolidine-2-carboxamide?
1-(2-carbamothioyl-4-pyridinyl)pyrrolidine-2-carboxamide has a molecular weight of 250.33 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carbamothioyl-4-pyridinyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55156459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).